V001-1977 Screening compound: 3-({[5-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

V001-1977 Screening compound: 3-({[5-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
V001-1977 Screening compound: 3-({[5-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-1977
3-({[5-(3,4-dimethoxyphenyl)-4-(2-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

V001-1977

Molecular Formula

C25H22N4O2S (C25 H22 N4 O2 S)

Compound Name

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

IUPAC name

3-({[5-(34-dimethoxyphenyl)-4-(2-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzonitrile

SMILES

Cc(cccc1)c1-n1c(SCc2cc(C#N)ccc2)nnc1-c(cc1)cc(OC)c1OC

InChI

InChI=1S/C25H22N4O2S/c1-17-7-4-5-10-21(17)29-24(20-11-12-22(30-2)23(14-20)31-3)27-28-25(29)32-16-19-9-6-8-18(13-19)15-26/h4-14H,16H2,1-3H3

InChI Key

UTBGUSKEZDZPDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843446

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.946

Distribution Coefficient, logD

4.946

Water Solubility, LogSw

-4.73

Polar Surface Area

56.729

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with V001-1977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-1977?
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What is the minimum amount of V001-1977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-1977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-1977
  • 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 V001-1977 available by request