G943-0895 Screening compound: N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3,4-dimethoxybenzamide

G943-0895 Screening compound: N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3,4-dimethoxybenzamide
G943-0895 Screening compound: N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G943-0895
N~1~-(10-isopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-3,4-dimethoxybenzamide

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

G943-0895

Molecular Formula

C25H24N2O4S (C25 H24 N2 O4 S)

Compound Name

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

IUPAC name

34-dimethoxy-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]benzamide

SMILES

CC(C)N(c(ccc(NC(c(cc1)cc(OC)c1OC)=O)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C25H24N2O4S/c1-15(2)27-19-11-10-17(14-23(19)32-22-8-6-5-7-18(22)25(27)29)26-24(28)16-9-12-20(30-3)21(13-16)31-4/h5-15H,1-4H3,(H,26,28)

InChI Key

UAIOQTXUHGZVPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.837

Distribution Coefficient, logD

4.837

Water Solubility, LogSw

-4.58

Polar Surface Area

53.745

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G943-0895 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G943-0895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0895?
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What is the minimum amount of G943-0895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G943-0895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G943-0895
  • 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 G943-0895 available by request