G943-0442 Screening compound: 2-(4-fluorophenoxy)-N~1~-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)acetamide

G943-0442 Screening compound: 2-(4-fluorophenoxy)-N~1~-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)acetamide
G943-0442 Screening compound: 2-(4-fluorophenoxy)-N~1~-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G943-0442
2-(4-fluorophenoxy)-N~1~-(11-oxo-10-propyl-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

G943-0442

Molecular Formula

C24H21FN2O3S (C24 H21 FN2 O3 S)

Compound Name

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

IUPAC name

2-(4-fluorophenoxy)-N-{10-oxo-9-propyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}acetamide

SMILES

CCCN(c(ccc(NC(COc(cc1)ccc1F)=O)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C24H21FN2O3S/c1-2-13-27-20-12-9-17(26-23(28)15-30-18-10-7-16(25)8-11-18)14-22(20)31-21-6-4-3-5-19(21)24(27)29/h3-12,14H,2,13,15H2,1H3,(H,26,28)

InChI Key

JAABLCINGNIARQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27168970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.560

Distribution Coefficient, logD

5.560

Water Solubility, LogSw

-5.39

Polar Surface Area

46.027

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G943-0442 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G943-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0442?
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What is the minimum amount of G943-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G943-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G943-0442
  • 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 G943-0442 available by request