G202-0154 Screening compound: 4-[(2-chlorophenyl)methyl]-10-methyl-N-(3-methylbutyl)-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide

G202-0154 Screening compound: 4-[(2-chlorophenyl)methyl]-10-methyl-N-(3-methylbutyl)-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
G202-0154 Screening compound: 4-[(2-chlorophenyl)methyl]-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 G202-0154
4-[(2-chlorophenyl)methyl]-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

G202-0154

Molecular Formula

C25H28ClN3O2S (C25 H28 ClN3 O2 S)

Compound Name

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

IUPAC name

4-[(2-chlorophenyl)methyl]-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(Cc(cccc2)c2Cl)C1=O)=O

InChI

InChI=1S/C25H28ClN3O2S/c1-16(2)12-13-27-24(31)23-22-18-9-5-7-11-20(18)28(3)25(22)32-15-21(30)29(23)14-17-8-4-6-10-19(17)26/h4-11,16,23H,12-15H2,1-3H3,(H,27,31)/t23-/m1/s1

InChI Key

XFFXAMSVMCAZQE-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD27210294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.04

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.159

Distribution Coefficient, logD

5.159

Water Solubility, LogSw

-5.49

Polar Surface Area

41.714

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

G202-0154 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 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)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Peptidomimetic Library (37031 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
  • Mimetics
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others

References: we are preparing a list of scientific research reports with G202-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G202-0154?
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What is the minimum amount of G202-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G202-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G202-0154
  • 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 G202-0154 available by request