G943-0594 Screening compound: 3-chloro-N~1~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-4-fluorobenzamide

G943-0594 Screening compound: 3-chloro-N~1~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-4-fluorobenzamide
G943-0594 Screening compound: 3-chloro-N~1~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G943-0594
3-chloro-N~1~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-4-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

G943-0594

Molecular Formula

C23H16ClFN2O2S (C23 H16 ClFN2 O2 S)

Compound Name

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

IUPAC name

3-chloro-N-{9-cyclopropyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}-4-fluorobenzamide

SMILES

O=C(c(cc1)cc(Cl)c1F)Nc(cc1)cc(Sc2c3cccc2)c1N(C1CC1)C3=O

InChI

InChI=1S/C23H16ClFN2O2S/c24-17-11-13(5-9-18(17)25)22(28)26-14-6-10-19-21(12-14)30-20-4-2-1-3-16(20)23(29)27(19)15-7-8-15/h1-6,9-12,15H,7-8H2,(H,26,28)

InChI Key

QFKGGSHZGMKABR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.91

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

5.533

Distribution Coefficient, logD

5.532

Water Solubility, LogSw

-5.86

Polar Surface Area

38.044

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

G943-0594 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 G943-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0594?
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What is the minimum amount of G943-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G943-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G943-0594
  • 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 G943-0594 available by request