V029-5002 Screening compound: 3-(2-chlorophenyl)-4-(2-methoxyethyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

V029-5002 Screening compound: 3-(2-chlorophenyl)-4-(2-methoxyethyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
V029-5002 Screening compound: 3-(2-chlorophenyl)-4-(2-methoxyethyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5002
3-(2-chlorophenyl)-4-(2-methoxyethyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

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

V029-5002

Molecular Formula

C23H25ClN4O2S (C23 H25 ClN4 O2 S)

Compound Name

3-(2-chlorophenyl)-4-(2-methoxyethyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

IUPAC name

3-(2-chlorophenyl)-4-(2-methoxyethyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-124-triazole

SMILES

COCCn1c(SCc(cc2)ccc2C(N2CCCC2)=O)nnc1-c(cccc1)c1Cl

InChI

InChI=1S/C23H25ClN4O2S/c1-30-15-14-28-21(19-6-2-3-7-20(19)24)25-26-23(28)31-16-17-8-10-18(11-9-17)22(29)27-12-4-5-13-27/h2-3,6-11H,4-5,12-16H2,1H3

InChI Key

NVDLZNFZASTVLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633150

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

457

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.584

Distribution Coefficient, logD

3.584

Water Solubility, LogSw

-3.96

Polar Surface Area

49.576

Acid Dissociation Constant (pKa)

19.02

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with V029-5002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5002?
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What is the minimum amount of V029-5002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5002
  • 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 V029-5002 available by request