8003-4599 Screening compound: 2-{[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

8003-4599 Screening compound: 2-{[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
8003-4599 Screening compound: 2-{[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4599
2-{[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)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

8003-4599

Molecular Formula

C19H15N3O2S2 (C19 H15 N3 O2 S2)

Compound Name

2-{[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

IUPAC name

2-{[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

SMILES

COc(cc1)ccc1NC(CSc(nc(cc1)-c2cccs2)c1C#N)=O

InChI

InChI=1S/C19H15N3O2S2/c1-24-15-7-5-14(6-8-15)21-18(23)12-26-19-13(11-20)4-9-16(22-19)17-3-2-10-25-17/h2-10H,12H2,1H3,(H,21,23)

InChI Key

YSWFCNXABGWOBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00743907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.343

Distribution Coefficient, logD

4.343

Water Solubility, LogSw

-4.37

Polar Surface Area

57.210

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

8003-4599 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8003-4599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4599?
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What is the minimum amount of 8003-4599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4599
  • 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 8003-4599 available by request