8009-4689 Screening compound: N-{5-[2-(4-methylbenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-2-[(4-methylphenyl)sulfanyl]acetamide

8009-4689 Screening compound: N-{5-[2-(4-methylbenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-2-[(4-methylphenyl)sulfanyl]acetamide
8009-4689 Screening compound: N-{5-[2-(4-methylbenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-2-[(4-methylphenyl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4689
N-{5-[2-(4-methylbenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-2-[(4-methylphenyl)sulfanyl]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

8009-4689

Molecular Formula

C20H21N3O3S3 (C20 H21 N3 O3 S3)

Compound Name

N-{5-[2-(4-methylbenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-2-[(4-methylphenyl)sulfanyl]acetamide

IUPAC name

N-{5-[2-(4-methylbenzenesulfonyl)ethyl]-134-thiadiazol-2-yl}-2-[(4-methylphenyl)sulfanyl]acetamide

SMILES

Cc(cc1)ccc1SCC(Nc1nnc(CCS(c2ccc(C)cc2)(=O)=O)s1)=O

InChI

InChI=1S/C20H21N3O3S3/c1-14-3-7-16(8-4-14)27-13-18(24)21-20-23-22-19(28-20)11-12-29(25,26)17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3,(H,21,23,24)

InChI Key

HLCQTMKUZGEYSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01821482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.235

Distribution Coefficient, logD

4.172

Water Solubility, LogSw

-4.14

Polar Surface Area

75.921

Acid Dissociation Constant (pKa)

8.20

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8009-4689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4689?
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What is the minimum amount of 8009-4689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4689
  • 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 8009-4689 available by request