8013-1657 Screening compound: ethyl 3-{[(2-chlorophenyl)methyl]amino}-3-(4-methylphenyl)propanoate

8013-1657 Screening compound: ethyl 3-{[(2-chlorophenyl)methyl]amino}-3-(4-methylphenyl)propanoate
8013-1657 Screening compound: ethyl 3-{[(2-chlorophenyl)methyl]amino}-3-(4-methylphenyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1657
ethyl 3-{[(2-chlorophenyl)methyl]amino}-3-(4-methylphenyl)propanoate

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

8013-1657

Molecular Formula

C19H22ClNO2 (C19 H22 ClNO2)

Compound Name

ethyl 3-{[(2-chlorophenyl)methyl]amino}-3-(4-methylphenyl)propanoate

IUPAC name

ethyl 3-{[(2-chlorophenyl)methyl]amino}-3-(4-methylphenyl)propanoate

SMILES

CCOC(CC(c1ccc(C)cc1)NCc(cccc1)c1Cl)=O

InChI

InChI=1S/C19H22ClNO2/c1-3-23-19(22)12-18(15-10-8-14(2)9-11-15)21-13-16-6-4-5-7-17(16)20/h4-11,18,21H,3,12-13H2,1-2H3/t18-/m0/s1

InChI Key

VZSKCKDLKFJZKZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03409481

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

331.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.400

Distribution Coefficient, logD

4.152

Water Solubility, LogSw

-4.45

Polar Surface Area

31.584

Acid Dissociation Constant (pKa)

22.57

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

8013-1657 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8013-1657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1657?
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What is the minimum amount of 8013-1657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1657
  • 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 8013-1657 available by request