6409-0052 Screening compound: 2-(4-ethoxyphenyl)-5-[(4-methoxyphenyl)amino]-1,3-oxazole-4-carbonitrile

6409-0052 Screening compound: 2-(4-ethoxyphenyl)-5-[(4-methoxyphenyl)amino]-1,3-oxazole-4-carbonitrile
6409-0052 Screening compound: 2-(4-ethoxyphenyl)-5-[(4-methoxyphenyl)amino]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6409-0052
2-(4-ethoxyphenyl)-5-[(4-methoxyphenyl)amino]-1,3-oxazole-4-carbonitrile

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

6409-0052

Molecular Formula

C19H17N3O3 (C19 H17 N3 O3)

Compound Name

2-(4-ethoxyphenyl)-5-[(4-methoxyphenyl)amino]-1,3-oxazole-4-carbonitrile

IUPAC name

2-(4-ethoxyphenyl)-5-[(4-methoxyphenyl)amino]-13-oxazole-4-carbonitrile

SMILES

CCOc(cc1)ccc1-c1nc(C#N)c(Nc(cc2)ccc2OC)o1

InChI

InChI=1S/C19H17N3O3/c1-3-24-16-8-4-13(5-9-16)18-22-17(12-20)19(25-18)21-14-6-10-15(23-2)11-7-14/h4-11,21H,3H2,1-2H3

InChI Key

PFJKAZCVYYMGJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03490619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.203

Distribution Coefficient, logD

4.203

Water Solubility, LogSw

-4.17

Polar Surface Area

59.623

Acid Dissociation Constant (pKa)

16.67

Base Dissociation Constant (pKb)

-5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

6409-0052 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6409-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6409-0052?
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What is the minimum amount of 6409-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6409-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6409-0052
  • 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 6409-0052 available by request