V024-1691 Screening compound: N~5~-(4-methylbenzyl)-N~5~-{3-[2-oxo-2-(propylamino)ethyl]phenyl}-1,3-benzodioxole-5-carboxamide

V024-1691 Screening compound: N~5~-(4-methylbenzyl)-N~5~-{3-[2-oxo-2-(propylamino)ethyl]phenyl}-1,3-benzodioxole-5-carboxamide
V024-1691 Screening compound: N~5~-(4-methylbenzyl)-N~5~-{3-[2-oxo-2-(propylamino)ethyl]phenyl}-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-1691
N~5~-(4-methylbenzyl)-N~5~-{3-[2-oxo-2-(propylamino)ethyl]phenyl}-1,3-benzodioxole-5-carboxamide

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

V024-1691

Molecular Formula

C27H28N2O4 (C27 H28 N2 O4)

Compound Name

N~5~-(4-methylbenzyl)-N~5~-{3-[2-oxo-2-(propylamino)ethyl]phenyl}-1,3-benzodioxole-5-carboxamide

IUPAC name

n/a

SMILES

CCCNC(Cc1cccc(N(Cc2ccc(C)cc2)C(c(cc2)cc3c2OCO3)=O)c1)=O

InChI

InChI=1S/C27H28N2O4/c1-3-13-28-26(30)15-21-5-4-6-23(14-21)29(17-20-9-7-19(2)8-10-20)27(31)22-11-12-24-25(16-22)33-18-32-24/h4-12,14,16H,3,13,15,17-18H2,1-2H3,(H,28,30)

InChI Key

JWOZZTIYBAKCJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19915828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.468

Distribution Coefficient, logD

4.468

Water Solubility, LogSw

-4.36

Polar Surface Area

57.018

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V024-1691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-1691?
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What is the minimum amount of V024-1691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-1691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-1691
  • 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 V024-1691 available by request