8018-5672 Screening compound: 4-(5-{[(2-chlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine

8018-5672 Screening compound: 4-(5-{[(2-chlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
8018-5672 Screening compound: 4-(5-{[(2-chlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5672
4-(5-{[(2-chlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine

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

8018-5672

Molecular Formula

C13H13ClN6OS (C13 H13 ClN6 OS)

Compound Name

4-(5-{[(2-chlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine

IUPAC name

4-(5-{[(2-chlorophenyl)methyl]sulfanyl}-4-ethyl-4H-124-triazol-3-yl)-125-oxadiazol-3-amine

SMILES

CCn1c(SCc(cccc2)c2Cl)nnc1-c1nonc1N

InChI

InChI=1S/C13H13ClN6OS/c1-2-20-12(10-11(15)19-21-18-10)16-17-13(20)22-7-8-5-3-4-6-9(8)14/h3-6H,2,7H2,1H3,(H2,15,19)

InChI Key

HOZXXFODDAZHQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.259

Distribution Coefficient, logD

3.259

Water Solubility, LogSw

-3.35

Polar Surface Area

81.050

Acid Dissociation Constant (pKa)

18.80

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8018-5672 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-5672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5672?
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What is the minimum amount of 8018-5672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5672
  • 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 8018-5672 available by request