V008-4045 Screening compound: 3-{[(2,4-difluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

V008-4045 Screening compound: 3-{[(2,4-difluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
V008-4045 Screening compound: 3-{[(2,4-difluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4045
3-{[(2,4-difluorophenyl)methyl]sulfanyl}-5-(4-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

V008-4045

Molecular Formula

C19H17F2N3OS (C19 H17 F2 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c(n1CC=C)nnc1SCc(ccc(F)c1)c1F

InChI

InChI=1S/C19H17F2N3OS/c1-3-10-24-18(13-5-8-16(25-2)9-6-13)22-23-19(24)26-12-14-4-7-15(20)11-17(14)21/h3-9,11H,1,10,12H2,2H3

InChI Key

FMVLVGYNUKSHQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843920

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

373.43

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

4.952

Distribution Coefficient, logD

4.952

Water Solubility, LogSw

-4.77

Polar Surface Area

31.763

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

V008-4045 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V008-4045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4045?
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What is the minimum amount of V008-4045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4045
  • 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 V008-4045 available by request