G943-0781 Screening compound: 1-(3,4-dimethylphenyl)-N~3~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-5-oxo-3-pyrrolidinecarboxamide

G943-0781 Screening compound: 1-(3,4-dimethylphenyl)-N~3~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-5-oxo-3-pyrrolidinecarboxamide
G943-0781 Screening compound: 1-(3,4-dimethylphenyl)-N~3~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G943-0781
1-(3,4-dimethylphenyl)-N~3~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-5-oxo-3-pyrrolidinecarboxamide

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

G943-0781

Molecular Formula

C29H29N3O3S (C29 H29 N3 O3 S)

Compound Name

1-(3,4-dimethylphenyl)-N~3~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

1-(34-dimethylphenyl)-5-oxo-N-[10-oxo-9-(propan-2-yl)-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaen-5-yl]pyrrolidine-3-carboxamide

SMILES

CC(C)N(c(ccc(NC(C(CC1=O)CN1c1cc(C)c(C)cc1)=O)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C29H29N3O3S/c1-17(2)32-24-12-10-21(15-26(24)36-25-8-6-5-7-23(25)29(32)35)30-28(34)20-14-27(33)31(16-20)22-11-9-18(3)19(4)13-22/h5-13,15,17,20H,14,16H2,1-4H3,(H,30,34)/t20-/m0/s1

InChI Key

XOBWOYGZHNOSNH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27169058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.558

Distribution Coefficient, logD

5.558

Water Solubility, LogSw

-5.32

Polar Surface Area

55.234

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

G943-0781 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 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
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G943-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0781?
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What is the minimum amount of G943-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G943-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G943-0781
  • 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 G943-0781 available by request