G202-0384 Screening compound: 4-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-10-methyl-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide

G202-0384 Screening compound: 4-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-10-methyl-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
G202-0384 Screening compound: 4-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-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 G202-0384
4-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-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

G202-0384

Molecular Formula

C27H24FN3O3S (C27 H24 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(SCC(N(C2C(NCc(cccc3)c3OC)=O)c3cc(F)ccc3)=O)c2c2c1cccc2

InChI

InChI=1S/C27H24FN3O3S/c1-30-21-12-5-4-11-20(21)24-25(26(33)29-15-17-8-3-6-13-22(17)34-2)31(23(32)16-35-27(24)30)19-10-7-9-18(28)14-19/h3-14,25H,15-16H2,1-2H3,(H,29,33)/t25-/m0/s1

InChI Key

MDSAFABBNYXMDP-VWLOTQADSA-N

MDL Number (MFCD)

MFCD27210332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.306

Distribution Coefficient, logD

4.306

Water Solubility, LogSw

-4.44

Polar Surface Area

48.620

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

G202-0384 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)

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

References: we are preparing a list of scientific research reports with G202-0384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G202-0384?
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What is the minimum amount of G202-0384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G202-0384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G202-0384
  • 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 G202-0384 available by request