2113-0147 Screening compound: (4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methoxy-3-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one

2113-0147 Screening compound: (4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methoxy-3-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one
2113-0147 Screening compound: (4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methoxy-3-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2113-0147
(4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methoxy-3-nitrophenyl)-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

2113-0147

Molecular Formula

C17H11ClN2O5 (C17 H11 ClN2 O5)

Compound Name

(4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methoxy-3-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-4-[(4-chlorophenyl)methylidene]-2-(4-methoxy-3-nitrophenyl)-45-dihydro-13-oxazol-5-one

SMILES

COc(ccc(C(OC1=O)=N/C1=C\c(cc1)ccc1Cl)c1)c1[N+]([O-])=O

InChI

InChI=1S/C17H11ClN2O5/c1-24-15-7-4-11(9-14(15)20(22)23)16-19-13(17(21)25-16)8-10-2-5-12(18)6-3-10/h2-9H,1H3

InChI Key

PJUQWLHIXICAOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.74

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.365

Distribution Coefficient, logD

3.365

Water Solubility, LogSw

-4.30

Polar Surface Area

71.087

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 2113-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2113-0147?
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What is the minimum amount of 2113-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2113-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2113-0147
  • 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 2113-0147 available by request