G943-0774 Screening compound: 2-[4-(acetylamino)phenyl]-N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)acetamide

G943-0774 Screening compound: 2-[4-(acetylamino)phenyl]-N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)acetamide
G943-0774 Screening compound: 2-[4-(acetylamino)phenyl]-N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G943-0774
2-[4-(acetylamino)phenyl]-N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)acetamide

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

G943-0774

Molecular Formula

C26H25N3O3S (C26 H25 N3 O3 S)

Compound Name

2-[4-(acetylamino)phenyl]-N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)acetamide

IUPAC name

2-(4-acetamidophenyl)-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]acetamide

SMILES

CC(C)N(c(ccc(NC(Cc(cc1)ccc1NC(C)=O)=O)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C26H25N3O3S/c1-16(2)29-22-13-12-20(15-24(22)33-23-7-5-4-6-21(23)26(29)32)28-25(31)14-18-8-10-19(11-9-18)27-17(3)30/h4-13,15-16H,14H2,1-3H3,(H,27,30)(H,28,31)

InChI Key

ITZMMJGNLAIVJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.303

Distribution Coefficient, logD

4.303

Water Solubility, LogSw

-4.34

Polar Surface Area

61.533

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

G943-0774 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 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
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G943-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0774?
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What is the minimum amount of G943-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G943-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G943-0774
  • 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 G943-0774 available by request