0975-0008 Screening compound: 2,2-bis(4-chlorophenyl)-2-hydroxy-N-{phenyl[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbamoyl]amino}acetamide

0975-0008 Screening compound: 2,2-bis(4-chlorophenyl)-2-hydroxy-N-{phenyl[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbamoyl]amino}acetamide
0975-0008 Screening compound: 2,2-bis(4-chlorophenyl)-2-hydroxy-N-{phenyl[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbamoyl]amino}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0975-0008
2,2-bis(4-chlorophenyl)-2-hydroxy-N-{phenyl[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbamoyl]amino}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

0975-0008

Molecular Formula

C29H25Cl2N3O3S (C29 H25 Cl2 N3 O3 S)

Compound Name

2,2-bis(4-chlorophenyl)-2-hydroxy-N-{phenyl[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbamoyl]amino}acetamide

IUPAC name

22-bis(4-chlorophenyl)-2-hydroxy-N-{phenyl[(4567-tetrahydro-1-benzothiophen-3-yl)carbamoyl]amino}acetamide

SMILES

OC(C(NN(C(Nc1csc2c1CCCC2)=O)c1ccccc1)=O)(c(cc1)ccc1Cl)c(cc1)ccc1Cl

InChI

InChI=1S/C29H25Cl2N3O3S/c30-21-14-10-19(11-15-21)29(37,20-12-16-22(31)17-13-20)27(35)33-34(23-6-2-1-3-7-23)28(36)32-25-18-38-26-9-5-4-8-24(25)26/h1-3,6-7,10-18,37H,4-5,8-9H2,(H,32,36)(H,33,35)

InChI Key

WLFMHOCQFHTDKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.595

Distribution Coefficient, logD

6.004

Water Solubility, LogSw

-6.13

Polar Surface Area

63.351

Acid Dissociation Constant (pKa)

6.94

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.20

0975-0008 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with 0975-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0975-0008?
Check Price and Availability of 0975-0008, 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 0975-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0975-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0975-0008
  • 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 0975-0008 available by request