V009-3036 Screening compound: 3-({[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

V009-3036 Screening compound: 3-({[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
V009-3036 Screening compound: 3-({[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-3036
3-({[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

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

V009-3036

Molecular Formula

C18H16N4S (C18 H16 N4 S)

Compound Name

3-({[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

IUPAC name

3-({[5-methyl-4-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzonitrile

SMILES

Cc(n1-c2ccc(C)cc2)nnc1SCc1cc(C#N)ccc1

InChI

InChI=1S/C18H16N4S/c1-13-6-8-17(9-7-13)22-14(2)20-21-18(22)23-12-16-5-3-4-15(10-16)11-19/h3-10H,12H2,1-2H3

InChI Key

YBBQYANYMWHUQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19772343

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

320.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.239

Distribution Coefficient, logD

3.239

Water Solubility, LogSw

-3.18

Polar Surface Area

42.817

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V009-3036 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 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 V009-3036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-3036?
Check Price and Availability of V009-3036, 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 V009-3036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-3036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-3036
  • 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 V009-3036 available by request