D647-0158 Screening compound: 5-(4-chlorophenyl)-N-[2-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide

D647-0158 Screening compound: 5-(4-chlorophenyl)-N-[2-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
D647-0158 Screening compound: 5-(4-chlorophenyl)-N-[2-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D647-0158
5-(4-chlorophenyl)-N-[2-phenyl-2-(pyrrolidin-1-yl)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

D647-0158

Molecular Formula

C22H22ClN3O2 (C22 H22 ClN3 O2)

Compound Name

5-(4-chlorophenyl)-N-[2-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide

IUPAC name

5-(4-chlorophenyl)-N-[2-phenyl-2-(pyrrolidin-1-yl)ethyl]-12-oxazole-3-carboxamide

SMILES

O=C(c1noc(-c(cc2)ccc2Cl)c1)NCC(c1ccccc1)N1CCCC1

InChI

InChI=1S/C22H22ClN3O2/c23-18-10-8-17(9-11-18)21-14-19(25-28-21)22(27)24-15-20(26-12-4-5-13-26)16-6-2-1-3-7-16/h1-3,6-11,14,20H,4-5,12-13,15H2,(H,24,27)/t20-/m0/s1

InChI Key

LVNQTQMMTAURPE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD12966250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.89

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

4.444

Distribution Coefficient, logD

3.746

Water Solubility, LogSw

-4.78

Polar Surface Area

49.542

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

8.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D647-0158 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with D647-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D647-0158?
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What is the minimum amount of D647-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D647-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D647-0158
  • 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 D647-0158 available by request