G202-0143 Screening compound: 4-(3-ethylphenyl)-10-methyl-N-(3-methylbutyl)-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide

G202-0143 Screening compound: 4-(3-ethylphenyl)-10-methyl-N-(3-methylbutyl)-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
G202-0143 Screening compound: 4-(3-ethylphenyl)-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 G202-0143
4-(3-ethylphenyl)-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

G202-0143

Molecular Formula

C26H31N3O2S (C26 H31 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1cccc(N(C(C(NCCC(C)C)=O)c(c(cccc2)c2n2C)c2SC2)C2=O)c1

InChI

InChI=1S/C26H31N3O2S/c1-5-18-9-8-10-19(15-18)29-22(30)16-32-26-23(20-11-6-7-12-21(20)28(26)4)24(29)25(31)27-14-13-17(2)3/h6-12,15,17,24H,5,13-14,16H2,1-4H3,(H,27,31)/t24-/m0/s1

InChI Key

ZCRPUQIWWYOOLI-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD27210290

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

5.165

Distribution Coefficient, logD

5.165

Water Solubility, LogSw

-5.18

Polar Surface Area

41.102

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

G202-0143 in Drug Discovery

Included in Screening Libraries

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)

Anti-HIV1 Library (19540 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

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
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others

References: we are preparing a list of scientific research reports with G202-0143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G202-0143?
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What is the minimum amount of G202-0143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G202-0143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G202-0143
  • 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 G202-0143 available by request