G943-0018 Screening compound: N~1~-{2-[(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)amino]-2-oxoethyl}-2,2-diphenylacetamide

G943-0018 Screening compound: N~1~-{2-[(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)amino]-2-oxoethyl}-2,2-diphenylacetamide
G943-0018 Screening compound: N~1~-{2-[(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)amino]-2-oxoethyl}-2,2-diphenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G943-0018
N~1~-{2-[(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)amino]-2-oxoethyl}-2,2-diphenylacetamide

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

G943-0018

Molecular Formula

C30H25N3O3S (C30 H25 N3 O3 S)

Compound Name

N~1~-{2-[(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)amino]-2-oxoethyl}-2,2-diphenylacetamide

IUPAC name

N-[({9-methyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}carbamoyl)methyl]-22-diphenylacetamide

SMILES

CN(c(ccc(NC(CNC(C(c1ccccc1)c1ccccc1)=O)=O)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C30H25N3O3S/c1-33-24-17-16-22(18-26(24)37-25-15-9-8-14-23(25)30(33)36)32-27(34)19-31-29(35)28(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-18,28H,19H2,1H3,(H,31,35)(H,32,34)

InChI Key

LLABXJUWORFXGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.112

Distribution Coefficient, logD

5.112

Water Solubility, LogSw

-4.93

Polar Surface Area

62.729

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

G943-0018 in Drug Discovery

Included in Screening Libraries

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)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G943-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0018?
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What is the minimum amount of G943-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G943-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G943-0018
  • 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 G943-0018 available by request