V019-4695 Screening compound: 4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide

V019-4695 Screening compound: 4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
V019-4695 Screening compound: 4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-4695
4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide

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

V019-4695

Molecular Formula

C28H20F4N4O2S (C28 H20 F4 N4 O2 S)

Compound Name

4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide

IUPAC name

4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide

SMILES

O=C(c1ccc(CSc2nnc(-c3ccco3)n2-c(cccc2)c2F)cc1)NCc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C28H20F4N4O2S/c29-22-7-1-2-8-23(22)36-25(24-9-4-14-38-24)34-35-27(36)39-17-18-10-12-20(13-11-18)26(37)33-16-19-5-3-6-21(15-19)28(30,31)32/h1-15H,16-17H2,(H,33,37)

InChI Key

MTHUVZPFFAKFNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19791771

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

552.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.311

Distribution Coefficient, logD

5.311

Water Solubility, LogSw

-5.84

Polar Surface Area

57.403

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

References: we are preparing a list of scientific research reports with V019-4695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-4695?
Check Price and Availability of V019-4695, 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 V019-4695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-4695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-4695
  • 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 V019-4695 available by request