V010-0391 Screening compound: 1-[2-({[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carbonyl]-4-(2-ethoxyphenyl)piperazine

V010-0391 Screening compound: 1-[2-({[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carbonyl]-4-(2-ethoxyphenyl)piperazine
V010-0391 Screening compound: 1-[2-({[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carbonyl]-4-(2-ethoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-0391
1-[2-({[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carbonyl]-4-(2-ethoxyphenyl)piperazine

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

V010-0391

Molecular Formula

C32H31ClN6O2S2 (C32 H31 ClN6 O2 S2)

Compound Name

1-[2-({[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carbonyl]-4-(2-ethoxyphenyl)piperazine

IUPAC name

1-[2-({[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-13-thiazole-4-carbonyl]-4-(2-ethoxyphenyl)piperazine

SMILES

CCOc(cccc1)c1N(CC1)CCN1C(c1csc(CSc2nnc(-c(cccc3)c3Cl)n2-c2c(C)cccc2)n1)=O

InChI

InChI=1S/C32H31ClN6O2S2/c1-3-41-28-15-9-8-14-27(28)37-16-18-38(19-17-37)31(40)25-20-42-29(34-25)21-43-32-36-35-30(23-11-5-6-12-24(23)33)39(32)26-13-7-4-10-22(26)2/h4-15,20H,3,16-19,21H2,1-2H3

InChI Key

QNARGLQZORYLDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19736088

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

631.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.891

Distribution Coefficient, logD

6.891

Water Solubility, LogSw

-6.21

Polar Surface Area

61.730

Acid Dissociation Constant (pKa)

25.38

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V010-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0391?
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What is the minimum amount of V010-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0391
  • 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 V010-0391 available by request