V021-9454 Screening compound: N-[(4-methylphenyl)methyl]-N-[3-({[2-(morpholin-4-yl)ethyl]carbamoyl}methyl)phenyl]-4-nitrobenzamide

V021-9454 Screening compound: N-[(4-methylphenyl)methyl]-N-[3-({[2-(morpholin-4-yl)ethyl]carbamoyl}methyl)phenyl]-4-nitrobenzamide
V021-9454 Screening compound: N-[(4-methylphenyl)methyl]-N-[3-({[2-(morpholin-4-yl)ethyl]carbamoyl}methyl)phenyl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-9454
N-[(4-methylphenyl)methyl]-N-[3-({[2-(morpholin-4-yl)ethyl]carbamoyl}methyl)phenyl]-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

V021-9454

Molecular Formula

C29H32N4O5 (C29 H32 N4 O5)

Compound Name

N-[(4-methylphenyl)methyl]-N-[3-({[2-(morpholin-4-yl)ethyl]carbamoyl}methyl)phenyl]-4-nitrobenzamide

IUPAC name

N-[(4-methylphenyl)methyl]-N-[3-({[2-(morpholin-4-yl)ethyl]carbamoyl}methyl)phenyl]-4-nitrobenzamide

SMILES

Cc1ccc(CN(C(c(cc2)ccc2[N+]([O-])=O)=O)c2cc(CC(NCCN3CCOCC3)=O)ccc2)cc1

InChI

InChI=1S/C29H32N4O5/c1-22-5-7-23(8-6-22)21-32(29(35)25-9-11-26(12-10-25)33(36)37)27-4-2-3-24(19-27)20-28(34)30-13-14-31-15-17-38-18-16-31/h2-12,19H,13-18,20-21H2,1H3,(H,30,34)

InChI Key

WJGPUKFNXCXZRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19915797

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

516.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.402

Distribution Coefficient, logD

3.314

Water Solubility, LogSw

-3.60

Polar Surface Area

84.903

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

6.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.03

V021-9454 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V021-9454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-9454?
Check Price and Availability of V021-9454, 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 V021-9454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-9454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-9454
  • 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 V021-9454 available by request