6409-0048 Screening compound: 2-(4-ethoxyphenyl)-5-[(2-morpholinoethyl)amino]-1,3-oxazol-4-yl cyanide

6409-0048 Screening compound: 2-(4-ethoxyphenyl)-5-[(2-morpholinoethyl)amino]-1,3-oxazol-4-yl cyanide
6409-0048 Screening compound: 2-(4-ethoxyphenyl)-5-[(2-morpholinoethyl)amino]-1,3-oxazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6409-0048
2-(4-ethoxyphenyl)-5-[(2-morpholinoethyl)amino]-1,3-oxazol-4-yl cyanide

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

6409-0048

Molecular Formula

C18H22N4O3 (C18 H22 N4 O3)

Compound Name

2-(4-ethoxyphenyl)-5-[(2-morpholinoethyl)amino]-1,3-oxazol-4-yl cyanide

IUPAC name

2-(4-ethoxyphenyl)-5-{[2-(morpholin-4-yl)ethyl]amino}-13-oxazole-4-carbonitrile

SMILES

CCOc(cc1)ccc1-c1nc(C#N)c(NCCN2CCOCC2)o1

InChI

InChI=1S/C18H22N4O3/c1-2-24-15-5-3-14(4-6-15)17-21-16(13-19)18(25-17)20-7-8-22-9-11-23-12-10-22/h3-6,20H,2,7-12H2,1H3

InChI Key

AFXNQOWUUVZFSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03490615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.024

Distribution Coefficient, logD

1.956

Water Solubility, LogSw

-2.33

Polar Surface Area

65.134

Acid Dissociation Constant (pKa)

16.12

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

6409-0048 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6409-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6409-0048?
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What is the minimum amount of 6409-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6409-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6409-0048
  • 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 6409-0048 available by request