V011-5758 Screening compound: N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-2-chloro-4-nitrobenzamide

V011-5758 Screening compound: N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-2-chloro-4-nitrobenzamide
V011-5758 Screening compound: N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-2-chloro-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-5758
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-2-chloro-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

V011-5758

Molecular Formula

C26H22ClN5O7 (C26 H22 ClN5 O7)

Compound Name

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

IUPAC name

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

SMILES

CCOCCOc(nc1-c(cc2)cc3c2OCO3)nn1-c(cc1)ccc1NC(c(ccc([N+]([O-])=O)c1)c1Cl)=O

InChI

InChI=1S/C26H22ClN5O7/c1-2-36-11-12-37-26-29-24(16-3-10-22-23(13-16)39-15-38-22)31(30-26)18-6-4-17(5-7-18)28-25(33)20-9-8-19(32(34)35)14-21(20)27/h3-10,13-14H,2,11-12,15H2,1H3,(H,28,33)

InChI Key

OGRCWIDQOOUACH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19758108

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

551.94

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.252

Distribution Coefficient, logD

5.251

Water Solubility, LogSw

-5.71

Polar Surface Area

112.673

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with V011-5758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-5758?
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What is the minimum amount of V011-5758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-5758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-5758
  • 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 V011-5758 available by request