V013-7625 Screening compound: 2-{[4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide

V013-7625 Screening compound: 2-{[4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
V013-7625 Screening compound: 2-{[4-cyclohexyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-7625
2-{[4-cyclohexyl-5-(4-methoxyphenyl)-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

V013-7625

Molecular Formula

C21H30N4O2S (C21 H30 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)C(CSc1nnc(-c(cc2)ccc2OC)n1C1CCCCC1)=O

InChI

InChI=1S/C21H30N4O2S/c1-4-24(5-2)19(26)15-28-21-23-22-20(16-11-13-18(27-3)14-12-16)25(21)17-9-7-6-8-10-17/h11-14,17H,4-10,15H2,1-3H3

InChI Key

LFQVOQGVMRLYFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07701957

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

402.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.211

Distribution Coefficient, logD

4.211

Water Solubility, LogSw

-4.04

Polar Surface Area

47.766

Acid Dissociation Constant (pKa)

17.61

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

References: we are preparing a list of scientific research reports with V013-7625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-7625?
Check Price and Availability of V013-7625, 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 V013-7625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-7625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-7625
  • 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 V013-7625 available by request