P025-0094 Screening compound: 5-acetyl-N-[4-(propan-2-yl)phenyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-sulfonamide

P025-0094 Screening compound: 5-acetyl-N-[4-(propan-2-yl)phenyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-sulfonamide
P025-0094 Screening compound: 5-acetyl-N-[4-(propan-2-yl)phenyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P025-0094
5-acetyl-N-[4-(propan-2-yl)phenyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-sulfonamide

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

P025-0094

Molecular Formula

C18H22N2O3S2 (C18 H22 N2 O3 S2)

Compound Name

5-acetyl-N-[4-(propan-2-yl)phenyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-sulfonamide

IUPAC name

5-acetyl-N-[4-(propan-2-yl)phenyl]-4H5H6H7H-thieno[32-c]pyridine-2-sulfonamide

SMILES

CC(C)c(cc1)ccc1NS(c1cc(CN(CC2)C(C)=O)c2s1)(=O)=O

InChI

InChI=1S/C18H22N2O3S2/c1-12(2)14-4-6-16(7-5-14)19-25(22,23)18-10-15-11-20(13(3)21)9-8-17(15)24-18/h4-7,10,12,19H,8-9,11H2,1-3H3

InChI Key

KVANYPOJRZUUIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.884

Distribution Coefficient, logD

3.881

Water Solubility, LogSw

-3.83

Polar Surface Area

58.956

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

P025-0094 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P025-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P025-0094?
Check Price and Availability of P025-0094, 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 P025-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P025-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P025-0094
  • 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 P025-0094 available by request