D647-0138 Screening compound: N-[2-(4-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide

D647-0138 Screening compound: N-[2-(4-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
D647-0138 Screening compound: N-[2-(4-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D647-0138
N-[2-(4-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(4-ethoxyphenyl)-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

D647-0138

Molecular Formula

C24H26ClN3O3 (C24 H26 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-c1cc(C(NCC(c(cc2)ccc2Cl)N2CCCC2)=O)no1

InChI

InChI=1S/C24H26ClN3O3/c1-2-30-20-11-7-18(8-12-20)23-15-21(27-31-23)24(29)26-16-22(28-13-3-4-14-28)17-5-9-19(25)10-6-17/h5-12,15,22H,2-4,13-14,16H2,1H3,(H,26,29)/t22-/m0/s1

InChI Key

NIEXGJZEZPDUFQ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD18078881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.809

Distribution Coefficient, logD

4.484

Water Solubility, LogSw

-5.03

Polar Surface Area

56.666

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

7.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D647-0138 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D647-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D647-0138?
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What is the minimum amount of D647-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D647-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D647-0138
  • 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 D647-0138 available by request