G943-0725 Screening compound: N~1~-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-(3-methylphenoxy)acetamide

G943-0725 Screening compound: N~1~-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-(3-methylphenoxy)acetamide
G943-0725 Screening compound: N~1~-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-(3-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G943-0725
N~1~-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-(3-methylphenoxy)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

G943-0725

Molecular Formula

C27H26N2O3S (C27 H26 N2 O3 S)

Compound Name

N~1~-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-2-(3-methylphenoxy)acetamide

IUPAC name

N-{9-cyclopentyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}-2-(3-methylphenoxy)acetamide

SMILES

Cc1cccc(OCC(Nc(cc2)cc(Sc3c4cccc3)c2N(C2CCCC2)C4=O)=O)c1

InChI

InChI=1S/C27H26N2O3S/c1-18-7-6-10-21(15-18)32-17-26(30)28-19-13-14-23-25(16-19)33-24-12-5-4-11-22(24)27(31)29(23)20-8-2-3-9-20/h4-7,10-16,20H,2-3,8-9,17H2,1H3,(H,28,30)

InChI Key

VFMVYYJPIXAIEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.098

Distribution Coefficient, logD

6.098

Water Solubility, LogSw

-5.45

Polar Surface Area

45.365

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

G943-0725 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 G943-0725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G943-0725?
Check Price and Availability of G943-0725, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G943-0725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G943-0725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G943-0725
  • 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 G943-0725 available by request