V004-5158 Screening compound: N-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide

V004-5158 Screening compound: N-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
V004-5158 Screening compound: N-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5158
N-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-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

V004-5158

Molecular Formula

C25H23N5O5 (C25 H23 N5 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-c1nc(OCCOC)nn1-c(cc1)ccc1NC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C25H23N5O5/c1-17-5-3-4-6-22(17)23-27-25(35-16-15-34-2)28-29(23)20-13-9-19(10-14-20)26-24(31)18-7-11-21(12-8-18)30(32)33/h3-14H,15-16H2,1-2H3,(H,26,31)

InChI Key

FRDGDSFBDRBJFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19758148

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

473.49

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

4.206

Distribution Coefficient, logD

4.206

Water Solubility, LogSw

-4.39

Polar Surface Area

95.923

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with V004-5158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5158?
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What is the minimum amount of V004-5158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5158
  • 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 V004-5158 available by request