V021-7420 Screening compound: 1-[3-({2-[(4-chloro-3-methylphenoxy)methyl]morpholino}carbonyl)phenyl]ethyl cyanide

V021-7420 Screening compound: 1-[3-({2-[(4-chloro-3-methylphenoxy)methyl]morpholino}carbonyl)phenyl]ethyl cyanide
V021-7420 Screening compound: 1-[3-({2-[(4-chloro-3-methylphenoxy)methyl]morpholino}carbonyl)phenyl]ethyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-7420
1-[3-({2-[(4-chloro-3-methylphenoxy)methyl]morpholino}carbonyl)phenyl]ethyl cyanide

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

V021-7420

Molecular Formula

C22H23ClN2O3 (C22 H23 ClN2 O3)

Compound Name

1-[3-({2-[(4-chloro-3-methylphenoxy)methyl]morpholino}carbonyl)phenyl]ethyl cyanide

IUPAC name

2-(3-{2-[(4-chloro-3-methylphenoxy)methyl]morpholine-4-carbonyl}phenyl)propanenitrile

SMILES

CC(c1cccc(C(N2CC(COc(cc3)cc(C)c3Cl)OCC2)=O)c1)C#N

InChI

InChI=1S/C22H23ClN2O3/c1-15-10-19(6-7-21(15)23)28-14-20-13-25(8-9-27-20)22(26)18-5-3-4-17(11-18)16(2)12-24/h3-7,10-11,16,20H,8-9,13-14H2,1-2H3

InChI Key

DVYBLFQOMLTGRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19980311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.096

Distribution Coefficient, logD

4.096

Water Solubility, LogSw

-4.40

Polar Surface Area

49.200

Acid Dissociation Constant (pKa)

18.10

Base Dissociation Constant (pKb)

-4.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.36

V021-7420 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V021-7420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-7420?
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What is the minimum amount of V021-7420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-7420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-7420
  • 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 V021-7420 available by request