3627-0282 Screening compound: 2-(pyridin-2-ylsulfanyl)-N-(4-{4-[2-(pyridin-2-ylsulfanyl)acetamido]benzenesulfonyl}phenyl)acetamide

3627-0282 Screening compound: 2-(pyridin-2-ylsulfanyl)-N-(4-{4-[2-(pyridin-2-ylsulfanyl)acetamido]benzenesulfonyl}phenyl)acetamide
3627-0282 Screening compound: 2-(pyridin-2-ylsulfanyl)-N-(4-{4-[2-(pyridin-2-ylsulfanyl)acetamido]benzenesulfonyl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3627-0282
2-(pyridin-2-ylsulfanyl)-N-(4-{4-[2-(pyridin-2-ylsulfanyl)acetamido]benzenesulfonyl}phenyl)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

3627-0282

Molecular Formula

C26H22N4O4S3 (C26 H22 N4 O4 S3)

Compound Name

2-(pyridin-2-ylsulfanyl)-N-(4-{4-[2-(pyridin-2-ylsulfanyl)acetamido]benzenesulfonyl}phenyl)acetamide

IUPAC name

2-(pyridin-2-ylsulfanyl)-N-(4-{4-[2-(pyridin-2-ylsulfanyl)acetamido]benzenesulfonyl}phenyl)acetamide

SMILES

O=C(CSc1ncccc1)Nc(cc1)ccc1S(c(cc1)ccc1NC(CSc1ncccc1)=O)(=O)=O

InChI

InChI=1S/C26H22N4O4S3/c31-23(17-35-25-5-1-3-15-27-25)29-19-7-11-21(12-8-19)37(33,34)22-13-9-20(10-14-22)30-24(32)18-36-26-6-2-4-16-28-26/h1-16H,17-18H2,(H,29,31)(H,30,32)

InChI Key

WVHMLAUBXWOZIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01443375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.68

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.702

Distribution Coefficient, logD

3.702

Water Solubility, LogSw

-4.06

Polar Surface Area

92.313

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

3627-0282 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 3627-0282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3627-0282?
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What is the minimum amount of 3627-0282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3627-0282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3627-0282
  • 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 3627-0282 available by request