G943-0740 Screening compound: N~1~-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-fluorobenzamide

G943-0740 Screening compound: N~1~-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-fluorobenzamide
G943-0740 Screening compound: N~1~-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G943-0740
N~1~-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-fluorobenzamide

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

G943-0740

Molecular Formula

C25H21FN2O2S (C25 H21 FN2 O2 S)

Compound Name

N~1~-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-fluorobenzamide

IUPAC name

N-{9-cyclopentyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}-2-fluorobenzamide

SMILES

O=C(c(cccc1)c1F)Nc(cc1)cc(Sc2c3cccc2)c1N(C1CCCC1)C3=O

InChI

InChI=1S/C25H21FN2O2S/c26-20-11-5-3-9-18(20)24(29)27-16-13-14-21-23(15-16)31-22-12-6-4-10-19(22)25(30)28(21)17-7-1-2-8-17/h3-6,9-15,17H,1-2,7-8H2,(H,27,29)

InChI Key

JWHMXPKUVVQYJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.555

Distribution Coefficient, logD

5.555

Water Solubility, LogSw

-5.80

Polar Surface Area

38.079

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G943-0740 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G943-0740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0740?
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What is the minimum amount of G943-0740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G943-0740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G943-0740
  • 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 G943-0740 available by request