G202-0276 Screening compound: N-benzyl-4-(3,5-dimethylphenyl)-10-methyl-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide

G202-0276 Screening compound: N-benzyl-4-(3,5-dimethylphenyl)-10-methyl-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
G202-0276 Screening compound: N-benzyl-4-(3,5-dimethylphenyl)-10-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 G202-0276
N-benzyl-4-(3,5-dimethylphenyl)-10-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

G202-0276

Molecular Formula

C28H27N3O2S (C28 H27 N3 O2 S)

Compound Name

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

IUPAC name

N-benzyl-4-(35-dimethylphenyl)-10-methyl-3-oxo-2H3H4H5H10H-[14]thiazepino[76-b]indole-5-carboxamide

SMILES

Cc1cc(N(C(C(NCc2ccccc2)=O)c(c(cccc2)c2n2C)c2SC2)C2=O)cc(C)c1

InChI

InChI=1S/C28H27N3O2S/c1-18-13-19(2)15-21(14-18)31-24(32)17-34-28-25(22-11-7-8-12-23(22)30(28)3)26(31)27(33)29-16-20-9-5-4-6-10-20/h4-15,26H,16-17H2,1-3H3,(H,29,33)/t26-/m0/s1

InChI Key

MWMMMKFFKLYWLS-SANMLTNESA-N

MDL Number (MFCD)

MFCD27210316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.069

Distribution Coefficient, logD

5.069

Water Solubility, LogSw

-4.97

Polar Surface Area

40.989

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

G202-0276 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • 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
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with G202-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G202-0276?
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What is the minimum amount of G202-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G202-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G202-0276
  • 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 G202-0276 available by request