8014-5898 Screening compound: 2-[(4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N~1~-(3-chlorophenyl)acetamide

8014-5898 Screening compound: 2-[(4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N~1~-(3-chlorophenyl)acetamide
8014-5898 Screening compound: 2-[(4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N~1~-(3-chlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-5898
2-[(4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N~1~-(3-chlorophenyl)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

8014-5898

Molecular Formula

C12H14ClN5OS (C12 H14 ClN5 OS)

Compound Name

2-[(4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N~1~-(3-chlorophenyl)acetamide

IUPAC name

2-[(4-amino-5-ethyl-4H-124-triazol-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide

SMILES

CCc(n1N)nnc1SCC(Nc1cccc(Cl)c1)=O

InChI

InChI=1S/C12H14ClN5OS/c1-2-10-16-17-12(18(10)14)20-7-11(19)15-9-5-3-4-8(13)6-9/h3-6H,2,7,14H2,1H3,(H,15,19)

InChI Key

LCNQWKGAHJLFSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03494475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.902

Distribution Coefficient, logD

1.902

Water Solubility, LogSw

-2.90

Polar Surface Area

66.536

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8014-5898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-5898?
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What is the minimum amount of 8014-5898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-5898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-5898
  • 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 8014-5898 available by request