V017-2879 Screening compound: 3,4-dichloro-N-{4-[5-(2-fluorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}benzamide

V017-2879 Screening compound: 3,4-dichloro-N-{4-[5-(2-fluorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}benzamide
V017-2879 Screening compound: 3,4-dichloro-N-{4-[5-(2-fluorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-2879
3,4-dichloro-N-{4-[5-(2-fluorophenyl)-3-(2-methylpropoxy)-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

V017-2879

Molecular Formula

C25H21Cl2FN4O2 (C25 H21 Cl2 FN4 O2)

Compound Name

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

IUPAC name

34-dichloro-N-{4-[5-(2-fluorophenyl)-3-(2-methylpropoxy)-1H-124-triazol-1-yl]phenyl}benzamide

SMILES

CC(C)COc(nc1-c(cccc2)c2F)nn1-c(cc1)ccc1NC(c(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C25H21Cl2FN4O2/c1-15(2)14-34-25-30-23(19-5-3-4-6-22(19)28)32(31-25)18-10-8-17(9-11-18)29-24(33)16-7-12-20(26)21(27)13-16/h3-13,15H,14H2,1-2H3,(H,29,33)

InChI Key

LGPOOFDCBMCGDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14245335

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

499.37

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

7.084

Distribution Coefficient, logD

7.078

Water Solubility, LogSw

-6.36

Polar Surface Area

54.280

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with V017-2879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-2879?
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What is the minimum amount of V017-2879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-2879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-2879
  • 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 V017-2879 available by request