V009-3680 Screening compound: 3-(benzylsulfanyl)-5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

V009-3680 Screening compound: 3-(benzylsulfanyl)-5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
V009-3680 Screening compound: 3-(benzylsulfanyl)-5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-3680
3-(benzylsulfanyl)-5-(2-methoxyphenyl)-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

V009-3680

Molecular Formula

C19H19N3OS (C19 H19 N3 OS)

Compound Name

3-(benzylsulfanyl)-5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

IUPAC name

3-(benzylsulfanyl)-5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-124-triazole

SMILES

COc(cccc1)c1-c(n1CC=C)nnc1SCc1ccccc1

InChI

InChI=1S/C19H19N3OS/c1-3-13-22-18(16-11-7-8-12-17(16)23-2)20-21-19(22)24-14-15-9-5-4-6-10-15/h3-12H,1,13-14H2,2H3

InChI Key

VKTKZOJDZFNJNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843339

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

337.45

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

3.965

Distribution Coefficient, logD

3.965

Water Solubility, LogSw

-4.19

Polar Surface Area

31.850

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

V009-3680 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 V009-3680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-3680?
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What is the minimum amount of V009-3680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-3680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-3680
  • 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 V009-3680 available by request