D542-0016 Screening compound: N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

D542-0016 Screening compound: N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
D542-0016 Screening compound: N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D542-0016
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

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

D542-0016

Molecular Formula

C22H24ClN3O2 (C22 H24 ClN3 O2)

Compound Name

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

IUPAC name

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-5-phenyl-12-oxazole-3-carboxamide

SMILES

CCN(CC)C(CNC(c1noc(-c2ccccc2)c1)=O)c(cccc1)c1Cl

InChI

InChI=1S/C22H24ClN3O2/c1-3-26(4-2)20(17-12-8-9-13-18(17)23)15-24-22(27)19-14-21(28-25-19)16-10-6-5-7-11-16/h5-14,20H,3-4,15H2,1-2H3,(H,24,27)/t20-/m0/s1

InChI Key

JOFXOOPMBKIROG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD18078077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.602

Distribution Coefficient, logD

4.413

Water Solubility, LogSw

-4.68

Polar Surface Area

48.460

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D542-0016 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D542-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D542-0016?
Check Price and Availability of D542-0016, 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 D542-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D542-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D542-0016
  • 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 D542-0016 available by request