V004-3043 Screening compound: 2-fluoro-N-{3-[3-(propan-2-yloxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}benzamide

V004-3043 Screening compound: 2-fluoro-N-{3-[3-(propan-2-yloxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}benzamide
V004-3043 Screening compound: 2-fluoro-N-{3-[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 V004-3043
2-fluoro-N-{3-[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

V004-3043

Molecular Formula

C25H20F4N4O2 (C25 H20 F4 N4 O2)

Compound Name

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

IUPAC name

2-fluoro-N-{3-[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-c1cccc(NC(c(cccc2)c2F)=O)c1

InChI

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

InChI Key

GJHMHUZDUFEMHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19793643

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

6.550

Distribution Coefficient, logD

6.550

Water Solubility, LogSw

-5.71

Polar Surface Area

53.584

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

V004-3043 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular

References: we are preparing a list of scientific research reports with V004-3043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3043?
Check Price and Availability of V004-3043, 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 V004-3043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3043
  • 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 V004-3043 available by request