V029-5038 Screening compound: 4-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide

V029-5038 Screening compound: 4-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide
V029-5038 Screening compound: 4-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5038
4-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide

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

V029-5038

Molecular Formula

C23H27ClN4O2S (C23 H27 ClN4 O2 S)

Compound Name

4-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide

IUPAC name

4-({[5-(2-chlorophenyl)-4-(2-methoxyethyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide

SMILES

CCCN(C)C(c1ccc(CSc2nnc(-c(cccc3)c3Cl)n2CCOC)cc1)=O

InChI

InChI=1S/C23H27ClN4O2S/c1-4-13-27(2)22(29)18-11-9-17(10-12-18)16-31-23-26-25-21(28(23)14-15-30-3)19-7-5-6-8-20(19)24/h5-12H,4,13-16H2,1-3H3

InChI Key

TZQQUFYCIAGPNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633170

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

459.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.688

Distribution Coefficient, logD

3.688

Water Solubility, LogSw

-4.09

Polar Surface Area

48.962

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 V029-5038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5038?
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What is the minimum amount of V029-5038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5038
  • 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 V029-5038 available by request