1894-9020 Screening compound: 4-{[(4Z)-2-(4-chloro-3-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate

1894-9020 Screening compound: 4-{[(4Z)-2-(4-chloro-3-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate
1894-9020 Screening compound: 4-{[(4Z)-2-(4-chloro-3-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1894-9020
4-{[(4Z)-2-(4-chloro-3-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate

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

1894-9020

Molecular Formula

C18H11ClN2O6 (C18 H11 ClN2 O6)

Compound Name

4-{[(4Z)-2-(4-chloro-3-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate

IUPAC name

4-{[(4Z)-2-(4-chloro-3-nitrophenyl)-5-oxo-45-dihydro-13-oxazol-4-ylidene]methyl}phenyl acetate

SMILES

CC(Oc1ccc(/C=C2\N=C(c(cc3)cc([N+]([O-])=O)c3Cl)OC2=O)cc1)=O

InChI

InChI=1S/C18H11ClN2O6/c1-10(22)26-13-5-2-11(3-6-13)8-15-18(23)27-17(20-15)12-4-7-14(19)16(9-12)21(24)25/h2-9H,1H3

InChI Key

GIMUXWGWJUVOTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00358649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.75

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.966

Distribution Coefficient, logD

2.966

Water Solubility, LogSw

-3.82

Polar Surface Area

84.207

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 1894-9020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1894-9020?
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What is the minimum amount of 1894-9020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1894-9020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1894-9020
  • 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 1894-9020 available by request