V008-8738 Screening compound: 3-{[(4-methoxyphenyl)methyl]sulfanyl}-5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

V008-8738 Screening compound: 3-{[(4-methoxyphenyl)methyl]sulfanyl}-5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
V008-8738 Screening compound: 3-{[(4-methoxyphenyl)methyl]sulfanyl}-5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-8738
3-{[(4-methoxyphenyl)methyl]sulfanyl}-5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

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

V008-8738

Molecular Formula

C20H21N3OS (C20 H21 N3 OS)

Compound Name

3-{[(4-methoxyphenyl)methyl]sulfanyl}-5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

IUPAC name

3-{[(4-methoxyphenyl)methyl]sulfanyl}-5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-124-triazole

SMILES

Cc1cccc(-c(n2CC=C)nnc2SCc(cc2)ccc2OC)c1

InChI

InChI=1S/C20H21N3OS/c1-4-12-23-19(17-7-5-6-15(2)13-17)21-22-20(23)25-14-16-8-10-18(24-3)11-9-16/h4-11,13H,1,12,14H2,2-3H3

InChI Key

HYIKMDVTXKBFJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05997012

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

351.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.717

Distribution Coefficient, logD

4.717

Water Solubility, LogSw

-4.64

Polar Surface Area

31.763

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V008-8738 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V008-8738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-8738?
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What is the minimum amount of V008-8738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-8738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-8738
  • 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 V008-8738 available by request