D542-0072 Screening compound: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

D542-0072 Screening compound: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
D542-0072 Screening compound: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D542-0072
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-(4-methoxyphenyl)-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

D542-0072

Molecular Formula

C21H22ClN3O3 (C21 H22 ClN3 O3)

Compound Name

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

IUPAC name

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-(4-methoxyphenyl)-12-oxazole-3-carboxamide

SMILES

CN(C)C(CNC(c1noc(-c(cc2)ccc2OC)c1)=O)c(cccc1)c1Cl

InChI

InChI=1S/C21H22ClN3O3/c1-25(2)19(16-6-4-5-7-17(16)22)13-23-21(26)18-12-20(28-24-18)14-8-10-15(27-3)11-9-14/h4-12,19H,13H2,1-3H3,(H,23,26)/t19-/m0/s1

InChI Key

SHHKXHDBGMJICL-IBGZPJMESA-N

MDL Number (MFCD)

MFCD18078089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.009

Distribution Coefficient, logD

3.906

Water Solubility, LogSw

-4.47

Polar Surface Area

56.072

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

6.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

D542-0072 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 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:
  • GPCR
  • Ion Channels
  • Kinases

References: we are preparing a list of scientific research reports with D542-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D542-0072?
Check Price and Availability of D542-0072, 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 D542-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D542-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D542-0072
  • 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 D542-0072 available by request