G202-0166 Screening compound: 10-methyl-N-(3-methylbutyl)-4-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide

G202-0166 Screening compound: 10-methyl-N-(3-methylbutyl)-4-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
G202-0166 Screening compound: 10-methyl-N-(3-methylbutyl)-4-{2-[4-(methylsulfanyl)phenyl]ethyl}-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 G202-0166
10-methyl-N-(3-methylbutyl)-4-{2-[4-(methylsulfanyl)phenyl]ethyl}-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

G202-0166

Molecular Formula

C27H33N3O2S2 (C27 H33 N3 O2 S2)

Compound Name

10-methyl-N-(3-methylbutyl)-4-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide

IUPAC name

10-methyl-N-(3-methylbutyl)-4-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-oxo-2H3H4H5H10H-[14]thiazepino[76-b]indole-5-carboxamide

SMILES

CC(C)CCNC(C(c(c(cccc1)c1n1C)c1SC1)N(CCc(cc2)ccc2SC)C1=O)=O

InChI

InChI=1S/C27H33N3O2S2/c1-18(2)13-15-28-26(32)25-24-21-7-5-6-8-22(21)29(3)27(24)34-17-23(31)30(25)16-14-19-9-11-20(33-4)12-10-19/h5-12,18,25H,13-17H2,1-4H3,(H,28,32)/t25-/m0/s1

InChI Key

RHNPYNUDVRJUIN-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14985200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.71

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.529

Distribution Coefficient, logD

5.529

Water Solubility, LogSw

-5.63

Polar Surface Area

41.692

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

G202-0166 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Cyclic Ugi PPI Library (9586 compounds)

DGK Inhibitors Library (10558 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with G202-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G202-0166?
Check Price and Availability of G202-0166, 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 G202-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G202-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G202-0166
  • 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 G202-0166 available by request