1894-8842 Screening compound: (4E)-2-(5-chloro-2-methoxyphenyl)-4-{[4-(dimethylamino)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one

1894-8842 Screening compound: (4E)-2-(5-chloro-2-methoxyphenyl)-4-{[4-(dimethylamino)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one
1894-8842 Screening compound: (4E)-2-(5-chloro-2-methoxyphenyl)-4-{[4-(dimethylamino)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1894-8842
(4E)-2-(5-chloro-2-methoxyphenyl)-4-{[4-(dimethylamino)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one

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

1894-8842

Molecular Formula

C19H17ClN2O3 (C19 H17 ClN2 O3)

Compound Name

(4E)-2-(5-chloro-2-methoxyphenyl)-4-{[4-(dimethylamino)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4E)-2-(5-chloro-2-methoxyphenyl)-4-{[4-(dimethylamino)phenyl]methylidene}-45-dihydro-13-oxazol-5-one

SMILES

CN(C)c1ccc(/C=C2/N=C(c(cc(cc3)Cl)c3OC)OC2=O)cc1

InChI

InChI=1S/C19H17ClN2O3/c1-22(2)14-7-4-12(5-8-14)10-16-19(23)25-18(21-16)15-11-13(20)6-9-17(15)24-3/h4-11H,1-3H3

InChI Key

QBSVSHYDTGTKNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.831

Distribution Coefficient, logD

3.831

Water Solubility, LogSw

-4.59

Polar Surface Area

40.811

Acid Dissociation Constant (pKa)

30.86

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 1894-8842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1894-8842?
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What is the minimum amount of 1894-8842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1894-8842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1894-8842
  • 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 1894-8842 available by request