G202-0159 Screening compound: 4-(2,5-difluorophenyl)-10-methyl-N-(3-methylbutyl)-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide

G202-0159 Screening compound: 4-(2,5-difluorophenyl)-10-methyl-N-(3-methylbutyl)-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
G202-0159 Screening compound: 4-(2,5-difluorophenyl)-10-methyl-N-(3-methylbutyl)-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G202-0159
4-(2,5-difluorophenyl)-10-methyl-N-(3-methylbutyl)-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G202-0159

Molecular Formula

C24H25F2N3O2S (C24 H25 F2 N3 O2 S)

Compound Name

4-(2,5-difluorophenyl)-10-methyl-N-(3-methylbutyl)-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide

IUPAC name

4-(25-difluorophenyl)-10-methyl-N-(3-methylbutyl)-3-oxo-2H3H4H5H10H-[14]thiazepino[76-b]indole-5-carboxamide

SMILES

CC(C)CCNC(C(c(c(cccc1)c1n1C)c1SC1)N(c(cc(cc2)F)c2F)C1=O)=O

InChI

InChI=1S/C24H25F2N3O2S/c1-14(2)10-11-27-23(31)22-21-16-6-4-5-7-18(16)28(3)24(21)32-13-20(30)29(22)19-12-15(25)8-9-17(19)26/h4-9,12,14,22H,10-11,13H2,1-3H3,(H,27,31)/t22-/m0/s1

InChI Key

IBENKJNKXXSWCB-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27210297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.531

Distribution Coefficient, logD

4.531

Water Solubility, LogSw

-4.22

Polar Surface Area

40.801

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

G202-0159 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 compounds)

New Agro Library (44492 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Peptidomimetic Library (37031 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G202-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G202-0159?
Check Price and Availability of G202-0159, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G202-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G202-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G202-0159
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G202-0159 available by request