8755-0376 Screening compound: benzyl 2-benzamido-4-phenylthiophene-3-carboxylate

8755-0376 Screening compound: benzyl 2-benzamido-4-phenylthiophene-3-carboxylate
8755-0376 Screening compound: benzyl 2-benzamido-4-phenylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8755-0376
benzyl 2-benzamido-4-phenylthiophene-3-carboxylate

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

8755-0376

Molecular Formula

C25H19NO3S (C25 H19 NO3 S)

Compound Name

benzyl 2-benzamido-4-phenylthiophene-3-carboxylate

IUPAC name

benzyl 2-benzamido-4-phenylthiophene-3-carboxylate

SMILES

O=C(c1c(NC(c2ccccc2)=O)scc1-c1ccccc1)OCc1ccccc1

InChI

InChI=1S/C25H19NO3S/c27-23(20-14-8-3-9-15-20)26-24-22(21(17-30-24)19-12-6-2-7-13-19)25(28)29-16-18-10-4-1-5-11-18/h1-15,17H,16H2,(H,26,27)

InChI Key

VNZWONRCSAUFSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00336629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.530

Distribution Coefficient, logD

5.333

Water Solubility, LogSw

-5.90

Polar Surface Area

43.710

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

-9.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

8755-0376 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Others
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8755-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8755-0376?
Check Price and Availability of 8755-0376, 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 8755-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8755-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8755-0376
  • 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 8755-0376 available by request