V004-3346 Screening compound: N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-chlorobenzamide

V004-3346 Screening compound: N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-chlorobenzamide
V004-3346 Screening compound: N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3346
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-chlorobenzamide

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

V004-3346

Molecular Formula

C26H23ClN4O5 (C26 H23 ClN4 O5)

Compound Name

N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-chlorobenzamide

IUPAC name

N-{4-[5-(2H-13-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-124-triazol-1-yl]phenyl}-3-chlorobenzamide

SMILES

CCOCCOc(nc1-c(cc2)cc3c2OCO3)nn1-c(cc1)ccc1NC(c1cccc(Cl)c1)=O

InChI

InChI=1S/C26H23ClN4O5/c1-2-33-12-13-34-26-29-24(17-6-11-22-23(15-17)36-16-35-22)31(30-26)21-9-7-20(8-10-21)28-25(32)18-4-3-5-19(27)14-18/h3-11,14-15H,2,12-13,16H2,1H3,(H,28,32)

InChI Key

GISZPHFDLCHERA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19768491

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

506.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.439

Distribution Coefficient, logD

5.438

Water Solubility, LogSw

-5.91

Polar Surface Area

79.292

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.23

References: we are preparing a list of scientific research reports with V004-3346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3346?
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What is the minimum amount of V004-3346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3346
  • 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 V004-3346 available by request