V003-3939 Screening compound: 3-fluoro-N-{4-[5-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1H-1,2,4-triazol-1-yl]phenyl}benzamide

V003-3939 Screening compound: 3-fluoro-N-{4-[5-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1H-1,2,4-triazol-1-yl]phenyl}benzamide
V003-3939 Screening compound: 3-fluoro-N-{4-[5-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1H-1,2,4-triazol-1-yl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3939
3-fluoro-N-{4-[5-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-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

V003-3939

Molecular Formula

C28H19F3N4O2 (C28 H19 F3 N4 O2)

Compound Name

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

IUPAC name

3-fluoro-N-{4-[5-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1H-124-triazol-1-yl]phenyl}benzamide

SMILES

O=C(c1cc(F)ccc1)Nc(cc1)ccc1-n(c(-c1cccc(F)c1)n1)nc1OCc(cc1)ccc1F

InChI

InChI=1S/C28H19F3N4O2/c29-21-9-7-18(8-10-21)17-37-28-33-26(19-3-1-5-22(30)15-19)35(34-28)25-13-11-24(12-14-25)32-27(36)20-4-2-6-23(31)16-20/h1-16H,17H2,(H,32,36)

InChI Key

QZSKFOBWVMPIQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782714

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.48

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

6.583

Distribution Coefficient, logD

6.583

Water Solubility, LogSw

-6.15

Polar Surface Area

54.009

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

References: we are preparing a list of scientific research reports with V003-3939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3939?
Check Price and Availability of V003-3939, 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 V003-3939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3939
  • 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 V003-3939 available by request