G943-0463 Screening compound: N~2~-(1-{[(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)amino]carbonyl}-2-methylpropyl)-2-furamide

G943-0463 Screening compound: N~2~-(1-{[(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)amino]carbonyl}-2-methylpropyl)-2-furamide
G943-0463 Screening compound: N~2~-(1-{[(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)amino]carbonyl}-2-methylpropyl)-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G943-0463
N~2~-(1-{[(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)amino]carbonyl}-2-methylpropyl)-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

G943-0463

Molecular Formula

C26H25N3O4S (C26 H25 N3 O4 S)

Compound Name

N~2~-(1-{[(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)amino]carbonyl}-2-methylpropyl)-2-furamide

IUPAC name

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

SMILES

CC(C)C(C(Nc(cc1)cc(Sc2c3cccc2)c1N(C1CC1)C3=O)=O)NC(c1ccco1)=O

InChI

InChI=1S/C26H25N3O4S/c1-15(2)23(28-24(30)20-7-5-13-33-20)25(31)27-16-9-12-19-22(14-16)34-21-8-4-3-6-18(21)26(32)29(19)17-10-11-17/h3-9,12-15,17,23H,10-11H2,1-2H3,(H,27,31)(H,28,30)/t23-/m0/s1

InChI Key

AEKDQODWOQQQTH-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27168981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.428

Distribution Coefficient, logD

4.428

Water Solubility, LogSw

-4.27

Polar Surface Area

70.660

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

G943-0463 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Endocrine
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G943-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0463?
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What is the minimum amount of G943-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G943-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G943-0463
  • 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 G943-0463 available by request