V008-0596 Screening compound: 2-chloro-N-{4-[3-(2-methoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide

V008-0596 Screening compound: 2-chloro-N-{4-[3-(2-methoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
V008-0596 Screening compound: 2-chloro-N-{4-[3-(2-methoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-0596
2-chloro-N-{4-[3-(2-methoxyethoxy)-5-(4-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

V008-0596

Molecular Formula

C25H22ClN5O5 (C25 H22 ClN5 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1nc(OCCOC)nn1-c(cc1)ccc1NC(c(ccc([N+]([O-])=O)c1)c1Cl)=O

InChI

InChI=1S/C25H22ClN5O5/c1-16-3-5-17(6-4-16)23-28-25(36-14-13-35-2)29-30(23)19-9-7-18(8-10-19)27-24(32)21-12-11-20(31(33)34)15-22(21)26/h3-12,15H,13-14H2,1-2H3,(H,27,32)

InChI Key

VXSMGHCCSMVOQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19750050

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

507.93

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

5.096

Distribution Coefficient, logD

5.095

Water Solubility, LogSw

-5.32

Polar Surface Area

95.923

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with V008-0596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0596?
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What is the minimum amount of V008-0596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0596
  • 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 V008-0596 available by request