V013-0386 Screening compound: N-(3,4-dimethylphenyl)-4-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V013-0386 Screening compound: N-(3,4-dimethylphenyl)-4-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V013-0386 Screening compound: N-(3,4-dimethylphenyl)-4-({[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 V013-0386
N-(3,4-dimethylphenyl)-4-({[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

V013-0386

Molecular Formula

C28H28N4OS (C28 H28 N4 OS)

Compound Name

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

IUPAC name

N-(34-dimethylphenyl)-4-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzamide

SMILES

Cc(cc1)ccc1-c(n1CC=C)nnc1SCc(cc1)ccc1C(Nc1cc(C)c(C)cc1)=O

InChI

InChI=1S/C28H28N4OS/c1-5-16-32-26(23-11-6-19(2)7-12-23)30-31-28(32)34-18-22-9-13-24(14-10-22)27(33)29-25-15-8-20(3)21(4)17-25/h5-15,17H,1,16,18H2,2-4H3,(H,29,33)

InChI Key

UCPUAFLRJSYZFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782188

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

468.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.608

Distribution Coefficient, logD

6.608

Water Solubility, LogSw

-5.50

Polar Surface Area

47.310

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

V013-0386 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V013-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-0386?
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What is the minimum amount of V013-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-0386
  • 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 V013-0386 available by request