V025-0060 Screening compound: N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(propan-2-yloxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide

V025-0060 Screening compound: N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(propan-2-yloxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
V025-0060 Screening compound: N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(propan-2-yloxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-0060
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(propan-2-yloxy)-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

V025-0060

Molecular Formula

C25H21N5O6 (C25 H21 N5 O6)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Oc(nc1-c(cc2)cc3c2OCO3)nn1-c(cc1)ccc1NC(c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C25H21N5O6/c1-15(2)36-25-27-23(16-6-11-21-22(13-16)35-14-34-21)29(28-25)19-9-7-18(8-10-19)26-24(31)17-4-3-5-20(12-17)30(32)33/h3-13,15H,14H2,1-2H3,(H,26,31)

InChI Key

WAAQDVFGUBTRKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782337

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

487.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.330

Distribution Coefficient, logD

5.328

Water Solubility, LogSw

-5.43

Polar Surface Area

104.081

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with V025-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-0060?
Check Price and Availability of V025-0060, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V025-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-0060
  • 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 V025-0060 available by request