D647-0084 Screening compound: N-[2-(4-ethylphenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

D647-0084 Screening compound: N-[2-(4-ethylphenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
D647-0084 Screening compound: N-[2-(4-ethylphenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D647-0084
N-[2-(4-ethylphenyl)-2-(pyrrolidin-1-yl)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

D647-0084

Molecular Formula

C25H29N3O3 (C25 H29 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc1ccc(C(CNC(c2noc(-c(cc3)ccc3OC)c2)=O)N2CCCC2)cc1

InChI

InChI=1S/C25H29N3O3/c1-3-18-6-8-19(9-7-18)23(28-14-4-5-15-28)17-26-25(29)22-16-24(31-27-22)20-10-12-21(30-2)13-11-20/h6-13,16,23H,3-5,14-15,17H2,1-2H3,(H,26,29)/t23-/m0/s1

InChI Key

FRUBQIJOZHANBL-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD18078986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

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

4.758

Distribution Coefficient, logD

3.587

Water Solubility, LogSw

-4.43

Polar Surface Area

57.086

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

8.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with D647-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D647-0084?
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What is the minimum amount of D647-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D647-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D647-0084
  • 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 D647-0084 available by request