D220-0727 Screening compound: 2-(4-chloro-3-methylphenoxy)-N-[(2-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]propanamide

D220-0727 Screening compound: 2-(4-chloro-3-methylphenoxy)-N-[(2-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]propanamide
D220-0727 Screening compound: 2-(4-chloro-3-methylphenoxy)-N-[(2-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D220-0727
2-(4-chloro-3-methylphenoxy)-N-[(2-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]propanamide

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

D220-0727

Molecular Formula

C22H21ClFNO3 (C22 H21 ClFNO3)

Compound Name

2-(4-chloro-3-methylphenoxy)-N-[(2-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]propanamide

IUPAC name

2-(4-chloro-3-methylphenoxy)-N-[(2-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]propanamide

SMILES

CC(C(N(Cc1ccco1)Cc(cccc1)c1F)=O)Oc(cc1)cc(C)c1Cl

InChI

InChI=1S/C22H21ClFNO3/c1-15-12-18(9-10-20(15)23)28-16(2)22(26)25(14-19-7-5-11-27-19)13-17-6-3-4-8-21(17)24/h3-12,16H,13-14H2,1-2H3/t16-/m0/s1

InChI Key

TXUMWULXDVRZBR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD08548830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.666

Distribution Coefficient, logD

5.666

Water Solubility, LogSw

-5.91

Polar Surface Area

30.716

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

D220-0727 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 D220-0727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D220-0727?
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What is the minimum amount of D220-0727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D220-0727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D220-0727
  • 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 D220-0727 available by request