V025-5728 Screening compound: N-{3-[3-ethoxy-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide

V025-5728 Screening compound: N-{3-[3-ethoxy-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
V025-5728 Screening compound: N-{3-[3-ethoxy-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-5728
N-{3-[3-ethoxy-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-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

V025-5728

Molecular Formula

C24H21N5O4 (C24 H21 N5 O4)

Compound Name

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

IUPAC name

N-{3-[3-ethoxy-5-(4-methylphenyl)-1H-124-triazol-1-yl]phenyl}-3-nitrobenzamide

SMILES

CCOc(nc1-c2ccc(C)cc2)nn1-c1cccc(NC(c2cccc([N+]([O-])=O)c2)=O)c1

InChI

InChI=1S/C24H21N5O4/c1-3-33-24-26-22(17-12-10-16(2)11-13-17)28(27-24)20-8-5-7-19(15-20)25-23(30)18-6-4-9-21(14-18)29(31)32/h4-15H,3H2,1-2H3,(H,25,30)

InChI Key

IPQLFOCHTKXOPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782540

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

443.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.756

Distribution Coefficient, logD

5.756

Water Solubility, LogSw

-5.43

Polar Surface Area

87.286

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with V025-5728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-5728?
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What is the minimum amount of V025-5728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-5728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-5728
  • 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 V025-5728 available by request