V004-0138 Screening compound: N-{3-[5-(3,4-dichlorophenyl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-fluorobenzamide

V004-0138 Screening compound: N-{3-[5-(3,4-dichlorophenyl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-fluorobenzamide
V004-0138 Screening compound: N-{3-[5-(3,4-dichlorophenyl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0138
N-{3-[5-(3,4-dichlorophenyl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-fluorobenzamide

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

V004-0138

Molecular Formula

C22H15Cl2FN4O2 (C22 H15 Cl2 FN4 O2)

Compound Name

N-{3-[5-(3,4-dichlorophenyl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-fluorobenzamide

IUPAC name

N-{3-[5-(34-dichlorophenyl)-3-methoxy-1H-124-triazol-1-yl]phenyl}-4-fluorobenzamide

SMILES

COc(nc1-c(cc2)cc(Cl)c2Cl)nn1-c1cc(NC(c(cc2)ccc2F)=O)ccc1

InChI

InChI=1S/C22H15Cl2FN4O2/c1-31-22-27-20(14-7-10-18(23)19(24)11-14)29(28-22)17-4-2-3-16(12-17)26-21(30)13-5-8-15(25)9-6-13/h2-12H,1H3,(H,26,30)

InChI Key

WFUHKLGLGBHKTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10461482

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

457.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.254

Distribution Coefficient, logD

6.254

Water Solubility, LogSw

-6.43

Polar Surface Area

54.325

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with V004-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0138?
Check Price and Availability of V004-0138, 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 V004-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0138
  • 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 V004-0138 available by request