D647-0168 Screening compound: 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide

D647-0168 Screening compound: 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide
D647-0168 Screening compound: 5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D647-0168
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-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

D647-0168

Molecular Formula

C20H19ClFN3O2 (C20 H19 ClFN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(C)C(CNC(c1noc(-c(cc2)ccc2Cl)c1)=O)c(cc1)ccc1F

InChI

InChI=1S/C20H19ClFN3O2/c1-25(2)18(13-5-9-16(22)10-6-13)12-23-20(26)17-11-19(27-24-17)14-3-7-15(21)8-4-14/h3-11,18H,12H2,1-2H3,(H,23,26)/t18-/m0/s1

InChI Key

MIVRBHIMBQSNFW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD18078712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.040

Distribution Coefficient, logD

3.898

Water Solubility, LogSw

-4.69

Polar Surface Area

48.529

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

6.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D647-0168 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with D647-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D647-0168?
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What is the minimum amount of D647-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D647-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D647-0168
  • 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 D647-0168 available by request