4552-3362 Screening compound: 5-(2,6-dimethylmorpholin-4-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile

4552-3362 Screening compound: 5-(2,6-dimethylmorpholin-4-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
4552-3362 Screening compound: 5-(2,6-dimethylmorpholin-4-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4552-3362
5-(2,6-dimethylmorpholin-4-yl)-2-(4-methoxyphenyl)-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

4552-3362

Molecular Formula

C17H19N3O3 (C17 H19 N3 O3)

Compound Name

5-(2,6-dimethylmorpholin-4-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile

IUPAC name

5-(26-dimethylmorpholin-4-yl)-2-(4-methoxyphenyl)-13-oxazole-4-carbonitrile

SMILES

CC(C1)OC(C)CN1c1c(C#N)nc(-c(cc2)ccc2OC)o1

InChI

InChI=1S/C17H19N3O3/c1-11-9-20(10-12(2)22-11)17-15(8-18)19-16(23-17)13-4-6-14(21-3)7-5-13/h4-7,11-12H,9-10H2,1-3H3

InChI Key

VKDKSAWGLJXLSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03041105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.597

Distribution Coefficient, logD

2.597

Water Solubility, LogSw

-2.84

Polar Surface Area

54.231

Acid Dissociation Constant (pKa)

26.22

Base Dissociation Constant (pKb)

-5.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.20

4552-3362 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 4552-3362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4552-3362?
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What is the minimum amount of 4552-3362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4552-3362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4552-3362
  • 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 4552-3362 available by request