V012-0355 Screening compound: methyl 3-({[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate

V012-0355 Screening compound: methyl 3-({[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
V012-0355 Screening compound: methyl 3-({[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0355
methyl 3-({[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate

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

V012-0355

Molecular Formula

C25H23N3O3S (C25 H23 N3 O3 S)

Compound Name

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

IUPAC name

methyl 3-({[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzoate

SMILES

Cc(cccc1)c1-n1c(SCc2cc(C(OC)=O)ccc2)nnc1-c(cc1)ccc1OC

InChI

InChI=1S/C25H23N3O3S/c1-17-7-4-5-10-22(17)28-23(19-11-13-21(30-2)14-12-19)26-27-25(28)32-16-18-8-6-9-20(15-18)24(29)31-3/h4-15H,16H2,1-3H3

InChI Key

YXONQUQGKHQCJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843958

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.716

Distribution Coefficient, logD

5.716

Water Solubility, LogSw

-5.52

Polar Surface Area

53.129

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with V012-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0355?
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What is the minimum amount of V012-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0355
  • 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 V012-0355 available by request