G943-0490 Screening compound: 5-bromo-N~2~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-furamide

G943-0490 Screening compound: 5-bromo-N~2~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-furamide
G943-0490 Screening compound: 5-bromo-N~2~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G943-0490
5-bromo-N~2~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-furamide

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

G943-0490

Molecular Formula

C21H15BrN2O3S (C21 H15 BrN2 O3 S)

Compound Name

5-bromo-N~2~-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-furamide

IUPAC name

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

SMILES

O=C(c(o1)ccc1Br)Nc(cc1)cc(Sc2c3cccc2)c1N(C1CC1)C3=O

InChI

InChI=1S/C21H15BrN2O3S/c22-19-10-9-16(27-19)20(25)23-12-5-8-15-18(11-12)28-17-4-2-1-3-14(17)21(26)24(15)13-6-7-13/h1-5,8-11,13H,6-7H2,(H,23,25)

InChI Key

UAQPOVXDIYUYQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27168986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.130

Distribution Coefficient, logD

5.130

Water Solubility, LogSw

-5.27

Polar Surface Area

46.970

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

-3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G943-0490 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G943-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0490?
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What is the minimum amount of G943-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G943-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G943-0490
  • 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 G943-0490 available by request