V013-0364 Screening compound: N-{3-[5-(3-fluorophenyl)-3-(2-methoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide

V013-0364 Screening compound: N-{3-[5-(3-fluorophenyl)-3-(2-methoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
V013-0364 Screening compound: N-{3-[5-(3-fluorophenyl)-3-(2-methoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-0364
N-{3-[5-(3-fluorophenyl)-3-(2-methoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide

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

V013-0364

Molecular Formula

C24H20FN5O5 (C24 H20 FN5 O5)

Compound Name

N-{3-[5-(3-fluorophenyl)-3-(2-methoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide

IUPAC name

N-{3-[5-(3-fluorophenyl)-3-(2-methoxyethoxy)-1H-124-triazol-1-yl]phenyl}-4-nitrobenzamide

SMILES

COCCOc(nc1-c2cccc(F)c2)nn1-c1cc(NC(c(cc2)ccc2[N+]([O-])=O)=O)ccc1

InChI

InChI=1S/C24H20FN5O5/c1-34-12-13-35-24-27-22(17-4-2-5-18(25)14-17)29(28-24)21-7-3-6-19(15-21)26-23(31)16-8-10-20(11-9-16)30(32)33/h2-11,14-15H,12-13H2,1H3,(H,26,31)

InChI Key

JPRHOPUHRPDFKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782728

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

477.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.474

Distribution Coefficient, logD

4.474

Water Solubility, LogSw

-4.45

Polar Surface Area

95.923

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

V013-0364 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V013-0364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-0364?
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What is the minimum amount of V013-0364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-0364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-0364
  • 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 V013-0364 available by request