V029-8025 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V029-8025 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V029-8025 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8025
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

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

V029-8025

Molecular Formula

C28H26N4O3S (C28 H26 N4 O3 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzamide

SMILES

Cc(cc1)ccc1-c(n1CC=C)nnc1SCc1cc(C(NCc(cc2)cc3c2OCO3)=O)ccc1

InChI

InChI=1S/C28H26N4O3S/c1-3-13-32-26(22-10-7-19(2)8-11-22)30-31-28(32)36-17-21-5-4-6-23(14-21)27(33)29-16-20-9-12-24-25(15-20)35-18-34-24/h3-12,14-15H,1,13,16-18H2,2H3,(H,29,33)

InChI Key

SOOAELDXBLNWCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633440

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

498.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.491

Distribution Coefficient, logD

5.491

Water Solubility, LogSw

-5.45

Polar Surface Area

65.748

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with V029-8025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8025?
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What is the minimum amount of V029-8025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8025
  • 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 V029-8025 available by request