3615-0121 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

3615-0121 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
3615-0121 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3615-0121
2-{[1-(3-chloro-4-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(1,3-thiazol-2-yl)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

3615-0121

Molecular Formula

C13H11ClN6OS2 (C13 H11 ClN6 OS2)

Compound Name

2-{[1-(3-chloro-4-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

IUPAC name

2-{[1-(3-chloro-4-methylphenyl)-1H-1234-tetrazol-5-yl]sulfanyl}-N-(13-thiazol-2-yl)acetamide

SMILES

Cc(ccc(-n1nnnc1SCC(Nc1nccs1)=O)c1)c1Cl

InChI

InChI=1S/C13H11ClN6OS2/c1-8-2-3-9(6-10(8)14)20-13(17-18-19-20)23-7-11(21)16-12-15-4-5-22-12/h2-6H,7H2,1H3,(H,15,16,21)

InChI Key

SMWDTUKTAAWMLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02220986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.311

Distribution Coefficient, logD

3.310

Water Solubility, LogSw

-3.44

Polar Surface Area

73.517

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

3615-0121 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3615-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3615-0121?
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What is the minimum amount of 3615-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3615-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3615-0121
  • 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 3615-0121 available by request