V027-9781 Screening compound: 3-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide

V027-9781 Screening compound: 3-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
V027-9781 Screening compound: 3-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9781
3-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)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

V027-9781

Molecular Formula

C23H28N4OS (C23 H28 N4 OS)

Compound Name

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

IUPAC name

3-({[4-ethyl-5-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide

SMILES

CCn1c(SCc2cc(C(NCC(C)C)=O)ccc2)nnc1-c1ccc(C)cc1

InChI

InChI=1S/C23H28N4OS/c1-5-27-21(19-11-9-17(4)10-12-19)25-26-23(27)29-15-18-7-6-8-20(13-18)22(28)24-14-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,24,28)

InChI Key

QOLVPIIVFLNVKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27632480

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

408.57

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

4.951

Distribution Coefficient, logD

4.951

Water Solubility, LogSw

-4.57

Polar Surface Area

48.650

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

V027-9781 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V027-9781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9781?
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What is the minimum amount of V027-9781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9781
  • 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 V027-9781 available by request