0975-0002 Screening compound: 2-hydroxy-N-{phenyl[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbamoyl]amino}-2-propylpentanamide

0975-0002 Screening compound: 2-hydroxy-N-{phenyl[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbamoyl]amino}-2-propylpentanamide
0975-0002 Screening compound: 2-hydroxy-N-{phenyl[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbamoyl]amino}-2-propylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0975-0002
2-hydroxy-N-{phenyl[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbamoyl]amino}-2-propylpentanamide

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

0975-0002

Molecular Formula

C23H31N3O3S (C23 H31 N3 O3 S)

Compound Name

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

IUPAC name

2-hydroxy-N-{phenyl[(4567-tetrahydro-1-benzothiophen-3-yl)carbamoyl]amino}-2-propylpentanamide

SMILES

CCCC(CCC)(C(NN(C(Nc1csc2c1CCCC2)=O)c1ccccc1)=O)O

InChI

InChI=1S/C23H31N3O3S/c1-3-14-23(29,15-4-2)21(27)25-26(17-10-6-5-7-11-17)22(28)24-19-16-30-20-13-9-8-12-18(19)20/h5-7,10-11,16,29H,3-4,8-9,12-15H2,1-2H3,(H,24,28)(H,25,27)

InChI Key

FRBMJRJEBNPTAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.204

Distribution Coefficient, logD

5.056

Water Solubility, LogSw

-4.82

Polar Surface Area

64.829

Acid Dissociation Constant (pKa)

7.79

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

0975-0002 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 0975-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0975-0002?
Check Price and Availability of 0975-0002, 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 0975-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0975-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0975-0002
  • 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 0975-0002 available by request