8018-1450 Screening compound: 4-(5-chloro-2-methoxyphenyl)-5-(2-furyl)-4H-1,2,4-triazol-3-ylhydrosulfide

8018-1450 Screening compound: 4-(5-chloro-2-methoxyphenyl)-5-(2-furyl)-4H-1,2,4-triazol-3-ylhydrosulfide
8018-1450 Screening compound: 4-(5-chloro-2-methoxyphenyl)-5-(2-furyl)-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1450
4-(5-chloro-2-methoxyphenyl)-5-(2-furyl)-4H-1,2,4-triazol-3-ylhydrosulfide

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

8018-1450

Molecular Formula

C13H10ClN3O2S (C13 H10 ClN3 O2 S)

Compound Name

4-(5-chloro-2-methoxyphenyl)-5-(2-furyl)-4H-1,2,4-triazol-3-ylhydrosulfide

IUPAC name

4-(5-chloro-2-methoxyphenyl)-5-(furan-2-yl)-4H-124-triazole-3-thiol

SMILES

COc(ccc(Cl)c1)c1-n1c(S)nnc1-c1ccco1

InChI

InChI=1S/C13H10ClN3O2S/c1-18-10-5-4-8(14)7-9(10)17-12(15-16-13(17)20)11-3-2-6-19-11/h2-7H,1H3,(H,16,20)

InChI Key

SYEZTFAAGFNVLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.625

Distribution Coefficient, logD

1.676

Water Solubility, LogSw

-3.20

Polar Surface Area

39.366

Acid Dissociation Constant (pKa)

6.50

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

References: we are preparing a list of scientific research reports with 8018-1450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1450?
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What is the minimum amount of 8018-1450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1450
  • 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 8018-1450 available by request