D062-0242 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-{[4-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]propanamide

D062-0242 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-{[4-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]propanamide
D062-0242 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-{[4-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D062-0242
2-(4-chloro-3,5-dimethylphenoxy)-N-{[4-(dimethylamino)phenyl]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

D062-0242

Molecular Formula

C25H29ClN2O3 (C25 H29 ClN2 O3)

Compound Name

2-(4-chloro-3,5-dimethylphenoxy)-N-{[4-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]propanamide

IUPAC name

2-(4-chloro-35-dimethylphenoxy)-N-{[4-(dimethylamino)phenyl]methyl}-N-[(furan-2-yl)methyl]propanamide

SMILES

CC(C(N(Cc1ccco1)Cc(cc1)ccc1N(C)C)=O)Oc(cc1C)cc(C)c1Cl

InChI

InChI=1S/C25H29ClN2O3/c1-17-13-23(14-18(2)24(17)26)31-19(3)25(29)28(16-22-7-6-12-30-22)15-20-8-10-21(11-9-20)27(4)5/h6-14,19H,15-16H2,1-5H3/t19-/m0/s1

InChI Key

PTMYXPTUDGJXJR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD07426875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.97

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.749

Distribution Coefficient, logD

5.733

Water Solubility, LogSw

-5.91

Polar Surface Area

33.520

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

D062-0242 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 D062-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D062-0242?
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What is the minimum amount of D062-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D062-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D062-0242
  • 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 D062-0242 available by request