2113-0052 Screening compound: (4Z)-2-(4-chlorophenyl)-4-{[(4-methylphenyl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one

2113-0052 Screening compound: (4Z)-2-(4-chlorophenyl)-4-{[(4-methylphenyl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one
2113-0052 Screening compound: (4Z)-2-(4-chlorophenyl)-4-{[(4-methylphenyl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2113-0052
(4Z)-2-(4-chlorophenyl)-4-{[(4-methylphenyl)amino]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

2113-0052

Molecular Formula

C17H13ClN2O2 (C17 H13 ClN2 O2)

Compound Name

(4Z)-2-(4-chlorophenyl)-4-{[(4-methylphenyl)amino]methylidene}-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-2-(4-chlorophenyl)-4-{[(4-methylphenyl)amino]methylidene}-45-dihydro-13-oxazol-5-one

SMILES

Cc(cc1)ccc1N/C=C1\N=C(c(cc2)ccc2Cl)OC1=O

InChI

InChI=1S/C17H13ClN2O2/c1-11-2-8-14(9-3-11)19-10-15-17(21)22-16(20-15)12-4-6-13(18)7-5-12/h2-10,19H,1H3

InChI Key

PQEWMFZJENXMQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.060

Distribution Coefficient, logD

4.060

Water Solubility, LogSw

-4.55

Polar Surface Area

41.977

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

4.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 2113-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2113-0052?
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What is the minimum amount of 2113-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2113-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2113-0052
  • 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 2113-0052 available by request