V011-5411 Screening compound: 3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

V011-5411 Screening compound: 3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
V011-5411 Screening compound: 3-{[(2,4-dichlorophenyl)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 V011-5411
3-{[(2,4-dichlorophenyl)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

V011-5411

Molecular Formula

C19H17Cl2N3S (C19 H17 Cl2 N3 S)

Compound Name

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

IUPAC name

3-{[(24-dichlorophenyl)methyl]sulfanyl}-5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-124-triazole

SMILES

Cc1cccc(-c(n2CC=C)nnc2SCc(ccc(Cl)c2)c2Cl)c1

InChI

InChI=1S/C19H17Cl2N3S/c1-3-9-24-18(14-6-4-5-13(2)10-14)22-23-19(24)25-12-15-7-8-16(20)11-17(15)21/h3-8,10-11H,1,9,12H2,2H3

InChI Key

BJRTZAHAKAWPGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04401413

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

390.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.421

Distribution Coefficient, logD

6.421

Water Solubility, LogSw

-6.45

Polar Surface Area

24.219

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with V011-5411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-5411?
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What is the minimum amount of V011-5411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-5411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-5411
  • 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 V011-5411 available by request