V004-8591 Screening compound: 2-({[5-benzyl-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~1~-cyclopropylbenzamide

V004-8591 Screening compound: 2-({[5-benzyl-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~1~-cyclopropylbenzamide
V004-8591 Screening compound: 2-({[5-benzyl-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~1~-cyclopropylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-8591
2-({[5-benzyl-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~1~-cyclopropylbenzamide

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

V004-8591

Molecular Formula

C23H26N4O2S (C23 H26 N4 O2 S)

Compound Name

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

IUPAC name

n/a

SMILES

COCCn1c(SCc(cccc2)c2C(NC2CC2)=O)nnc1Cc1ccccc1

InChI

InChI=1S/C23H26N4O2S/c1-29-14-13-27-21(15-17-7-3-2-4-8-17)25-26-23(27)30-16-18-9-5-6-10-20(18)22(28)24-19-11-12-19/h2-10,19H,11-16H2,1H3,(H,24,28)

InChI Key

ITUNGRIXOIEMMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27499017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.620

Distribution Coefficient, logD

3.620

Water Solubility, LogSw

-3.72

Polar Surface Area

58.007

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with V004-8591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-8591?
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What is the minimum amount of V004-8591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-8591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-8591
  • 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 V004-8591 available by request