8014-7133 Screening compound: 2-{[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclohexylacetamide

8014-7133 Screening compound: 2-{[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclohexylacetamide
8014-7133 Screening compound: 2-{[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-7133
2-{[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclohexylacetamide

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

8014-7133

Molecular Formula

C16H19ClN4OS (C16 H19 ClN4 OS)

Compound Name

2-{[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclohexylacetamide

IUPAC name

2-{[5-(2-chlorophenyl)-1H-124-triazol-3-yl]sulfanyl}-N-cyclohexylacetamide

SMILES

O=C(CSc1n[nH]c(-c(cccc2)c2Cl)n1)NC1CCCCC1

InChI

InChI=1S/C16H19ClN4OS/c17-13-9-5-4-8-12(13)15-19-16(21-20-15)23-10-14(22)18-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,18,22)(H,19,20,21)

InChI Key

UVEWYFMDSTYUHJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.871

Distribution Coefficient, logD

3.810

Water Solubility, LogSw

-4.32

Polar Surface Area

56.671

Acid Dissociation Constant (pKa)

4.73

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with 8014-7133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-7133?
Check Price and Availability of 8014-7133, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8014-7133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-7133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-7133
  • 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 8014-7133 available by request