V010-1962 Screening compound: 2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-{3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}ethan-1-one

V010-1962 Screening compound: 2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-{3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}ethan-1-one
V010-1962 Screening compound: 2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-{3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-1962
2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-{3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}ethan-1-one

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

V010-1962

Molecular Formula

C31H30F3N5O3S (C31 H30 F3 N5 O3 S)

Compound Name

2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-{3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}ethan-1-one

IUPAC name

2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}-1-{3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}ethan-1-one

SMILES

CC(CN(CC1)C(CSc2nnc(-c3ccc(C)cc3)n2-c(cc2)ccc2OC)=O)N1C(c1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C31H30F3N5O3S/c1-20-7-9-22(10-8-20)28-35-36-30(39(28)25-11-13-26(42-3)14-12-25)43-19-27(40)37-15-16-38(21(2)18-37)29(41)23-5-4-6-24(17-23)31(32,33)34/h4-14,17,21H,15-16,18-19H2,1-3H3/t21-/m0/s1

InChI Key

MMMFIQXDUUNZHR-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19722225

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

609.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.641

Distribution Coefficient, logD

5.641

Water Solubility, LogSw

-5.61

Polar Surface Area

64.323

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.00

References: we are preparing a list of scientific research reports with V010-1962 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V010-1962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-1962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-1962
  • 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 V010-1962 available by request