V014-9397 Screening compound: 2-{[4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide

V014-9397 Screening compound: 2-{[4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
V014-9397 Screening compound: 2-{[4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-9397
2-{[4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide

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

V014-9397

Molecular Formula

C22H32N4O3S (C22 H32 N4 O3 S)

Compound Name

2-{[4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide

IUPAC name

2-{[4-cyclohexyl-5-(35-dimethoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}-NN-diethylacetamide

SMILES

CCN(CC)C(CSc1nnc(-c2cc(OC)cc(OC)c2)n1C1CCCCC1)=O

InChI

InChI=1S/C22H32N4O3S/c1-5-25(6-2)20(27)15-30-22-24-23-21(26(22)17-10-8-7-9-11-17)16-12-18(28-3)14-19(13-16)29-4/h12-14,17H,5-11,15H2,1-4H3

InChI Key

GAXZSMPFDLVNMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843484

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

432.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.196

Distribution Coefficient, logD

4.196

Water Solubility, LogSw

-4.12

Polar Surface Area

55.309

Acid Dissociation Constant (pKa)

17.61

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

References: we are preparing a list of scientific research reports with V014-9397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-9397?
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What is the minimum amount of V014-9397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-9397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-9397
  • 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 V014-9397 available by request