V026-6642 Screening compound: N-{3-[3-(2-ethoxyethoxy)-5-(furan-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide

V026-6642 Screening compound: N-{3-[3-(2-ethoxyethoxy)-5-(furan-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
V026-6642 Screening compound: N-{3-[3-(2-ethoxyethoxy)-5-(furan-2-yl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-6642
N-{3-[3-(2-ethoxyethoxy)-5-(furan-2-yl)-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

V026-6642

Molecular Formula

C23H21N5O6 (C23 H21 N5 O6)

Compound Name

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

IUPAC name

N-{3-[3-(2-ethoxyethoxy)-5-(furan-2-yl)-1H-124-triazol-1-yl]phenyl}-3-nitrobenzamide

SMILES

CCOCCOc(nc1-c2ccco2)nn1-c1cccc(NC(c2cccc([N+]([O-])=O)c2)=O)c1

InChI

InChI=1S/C23H21N5O6/c1-2-32-12-13-34-23-25-21(20-10-5-11-33-20)27(26-23)18-8-4-7-17(15-18)24-22(29)16-6-3-9-19(14-16)28(30)31/h3-11,14-15H,2,12-13H2,1H3,(H,24,29)

InChI Key

ZABKSXLTAQRRLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782502

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

463.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.982

Distribution Coefficient, logD

3.982

Water Solubility, LogSw

-4.03

Polar Surface Area

104.136

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with V026-6642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-6642?
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What is the minimum amount of V026-6642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-6642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-6642
  • 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 V026-6642 available by request