V008-4971 Screening compound: 2,4-difluorobenzyl [4-(4-methylphenyl)-5-(3-pyridyl)-4H-1,2,4-triazol-3-yl] sulfide

V008-4971 Screening compound: 2,4-difluorobenzyl [4-(4-methylphenyl)-5-(3-pyridyl)-4H-1,2,4-triazol-3-yl] sulfide
V008-4971 Screening compound: 2,4-difluorobenzyl [4-(4-methylphenyl)-5-(3-pyridyl)-4H-1,2,4-triazol-3-yl] sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4971
2,4-difluorobenzyl [4-(4-methylphenyl)-5-(3-pyridyl)-4H-1,2,4-triazol-3-yl] sulfide

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

V008-4971

Molecular Formula

C21H16F2N4S (C21 H16 F2 N4 S)

Compound Name

2,4-difluorobenzyl [4-(4-methylphenyl)-5-(3-pyridyl)-4H-1,2,4-triazol-3-yl] sulfide

IUPAC name

3-(5-{[(24-difluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-124-triazol-3-yl)pyridine

SMILES

Cc(cc1)ccc1-n1c(SCc(ccc(F)c2)c2F)nnc1-c1cnccc1

InChI

InChI=1S/C21H16F2N4S/c1-14-4-8-18(9-5-14)27-20(15-3-2-10-24-12-15)25-26-21(27)28-13-16-6-7-17(22)11-19(16)23/h2-12H,13H2,1H3

InChI Key

MZIYTPDJPBNVDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19778668

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.659

Distribution Coefficient, logD

4.654

Water Solubility, LogSw

-4.27

Polar Surface Area

34.230

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.52

References: we are preparing a list of scientific research reports with V008-4971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4971?
Check Price and Availability of V008-4971, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V008-4971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4971
  • 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 V008-4971 available by request