G943-0457 Screening compound: N~3~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-oxo-2H-chromene-3-carboxamide

G943-0457 Screening compound: N~3~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-oxo-2H-chromene-3-carboxamide
G943-0457 Screening compound: N~3~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G943-0457
N~3~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-oxo-2H-chromene-3-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

G943-0457

Molecular Formula

C26H18N2O4S (C26 H18 N2 O4 S)

Compound Name

N~3~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-oxo-2H-chromene-3-carboxamide

IUPAC name

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

SMILES

O=C(C1=Cc(cccc2)c2OC1=O)Nc(cc1)cc(Sc2c3cccc2)c1N(C1CC1)C3=O

InChI

InChI=1S/C26H18N2O4S/c29-24(19-13-15-5-1-3-7-21(15)32-26(19)31)27-16-9-12-20-23(14-16)33-22-8-4-2-6-18(22)25(30)28(20)17-10-11-17/h1-9,12-14,17H,10-11H2,(H,27,29)

InChI Key

LAEYMKYRKLHWER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27168979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.850

Distribution Coefficient, logD

4.849

Water Solubility, LogSw

-4.81

Polar Surface Area

58.966

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

G943-0457 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G943-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0457?
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What is the minimum amount of G943-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G943-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G943-0457
  • 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 G943-0457 available by request