4137-0099 Screening compound: 2-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

4137-0099 Screening compound: 2-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
4137-0099 Screening compound: 2-{[1-(4-methoxyphenyl)-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 4137-0099
2-{[1-(4-methoxyphenyl)-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

4137-0099

Molecular Formula

C13H12N6O2S2 (C13 H12 N6 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-n1nnnc1SCC(Nc1nccs1)=O

InChI

InChI=1S/C13H12N6O2S2/c1-21-10-4-2-9(3-5-10)19-13(16-17-18-19)23-8-11(20)15-12-14-6-7-22-12/h2-7H,8H2,1H3,(H,14,15,20)

InChI Key

NDWOFMCQCCBZPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02951399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.043

Distribution Coefficient, logD

2.043

Water Solubility, LogSw

-2.67

Polar Surface Area

81.060

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

4137-0099 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4137-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4137-0099?
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What is the minimum amount of 4137-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4137-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4137-0099
  • 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 4137-0099 available by request