G943-0554 Screening compound: 2-(2-chloro-6-fluorophenyl)-N~1~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)acetamide

G943-0554 Screening compound: 2-(2-chloro-6-fluorophenyl)-N~1~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)acetamide
G943-0554 Screening compound: 2-(2-chloro-6-fluorophenyl)-N~1~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G943-0554
2-(2-chloro-6-fluorophenyl)-N~1~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)acetamide

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

G943-0554

Molecular Formula

C24H18ClFN2O2S (C24 H18 ClFN2 O2 S)

Compound Name

2-(2-chloro-6-fluorophenyl)-N~1~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)acetamide

IUPAC name

2-(2-chloro-6-fluorophenyl)-N-{9-cyclopropyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}acetamide

SMILES

O=C(Cc(c(F)ccc1)c1Cl)Nc(cc1)cc(Sc2c3cccc2)c1N(C1CC1)C3=O

InChI

InChI=1S/C24H18ClFN2O2S/c25-18-5-3-6-19(26)17(18)13-23(29)27-14-8-11-20-22(12-14)31-21-7-2-1-4-16(21)24(30)28(20)15-9-10-15/h1-8,11-12,15H,9-10,13H2,(H,27,29)

InChI Key

ZOSRRDQSFAYDQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.689

Distribution Coefficient, logD

5.689

Water Solubility, LogSw

-5.93

Polar Surface Area

37.831

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G943-0554 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G943-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0554?
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What is the minimum amount of G943-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G943-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G943-0554
  • 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 G943-0554 available by request