V003-4012 Screening compound: 4-fluoro-N-{4-[3-(propan-2-yloxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}benzamide

V003-4012 Screening compound: 4-fluoro-N-{4-[3-(propan-2-yloxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}benzamide
V003-4012 Screening compound: 4-fluoro-N-{4-[3-(propan-2-yloxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4012
4-fluoro-N-{4-[3-(propan-2-yloxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}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

V003-4012

Molecular Formula

C25H20F4N4O2 (C25 H20 F4 N4 O2)

Compound Name

4-fluoro-N-{4-[3-(propan-2-yloxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}benzamide

IUPAC name

4-fluoro-N-{4-[3-(propan-2-yloxy)-5-[4-(trifluoromethyl)phenyl]-1H-124-triazol-1-yl]phenyl}benzamide

SMILES

CC(C)Oc(nc1-c2ccc(C(F)(F)F)cc2)nn1-c(cc1)ccc1NC(c(cc1)ccc1F)=O

InChI

InChI=1S/C25H20F4N4O2/c1-15(2)35-24-31-22(16-3-7-18(8-4-16)25(27,28)29)33(32-24)21-13-11-20(12-14-21)30-23(34)17-5-9-19(26)10-6-17/h3-15H,1-2H3,(H,30,34)

InChI Key

FVMKYDZVTALQDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19758364

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

484.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.365

Distribution Coefficient, logD

6.364

Water Solubility, LogSw

-5.74

Polar Surface Area

53.584

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with V003-4012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4012?
Check Price and Availability of V003-4012, 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 V003-4012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4012
  • 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 V003-4012 available by request