G202-0145 Screening compound: 10-methyl-N-(3-methylbutyl)-4-[(4-methylphenyl)methyl]-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide

G202-0145 Screening compound: 10-methyl-N-(3-methylbutyl)-4-[(4-methylphenyl)methyl]-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
G202-0145 Screening compound: 10-methyl-N-(3-methylbutyl)-4-[(4-methylphenyl)methyl]-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 G202-0145
10-methyl-N-(3-methylbutyl)-4-[(4-methylphenyl)methyl]-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

G202-0145

Molecular Formula

C26H31N3O2S (C26 H31 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCNC(C(c(c(cccc1)c1n1C)c1SC1)N(Cc2ccc(C)cc2)C1=O)=O

InChI

InChI=1S/C26H31N3O2S/c1-17(2)13-14-27-25(31)24-23-20-7-5-6-8-21(20)28(4)26(23)32-16-22(30)29(24)15-19-11-9-18(3)10-12-19/h5-12,17,24H,13-16H2,1-4H3,(H,27,31)/t24-/m0/s1

InChI Key

RKVSZSIHTUHWKX-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD27210291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.62

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

4.764

Distribution Coefficient, logD

4.764

Water Solubility, LogSw

-4.52

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

38.50

G202-0145 in Drug Discovery

Included in Screening Libraries

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

Allosteric Kinases Inhibitors Library (23117 compounds)

Cardiovascular Library (22201 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
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cardiovascular
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with G202-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G202-0145?
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What is the minimum amount of G202-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G202-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G202-0145
  • 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 G202-0145 available by request