2192-1364 Screening compound: 2-(acetyloxy)-4-{[(4Z)-2-(2-chloro-5-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate

2192-1364 Screening compound: 2-(acetyloxy)-4-{[(4Z)-2-(2-chloro-5-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate
2192-1364 Screening compound: 2-(acetyloxy)-4-{[(4Z)-2-(2-chloro-5-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2192-1364
2-(acetyloxy)-4-{[(4Z)-2-(2-chloro-5-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

2192-1364

Molecular Formula

C20H13ClN2O8 (C20 H13 ClN2 O8)

Compound Name

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

IUPAC name

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

SMILES

CC(Oc(ccc(/C=C1\N=C(c(cc(cc2)[N+]([O-])=O)c2Cl)OC1=O)c1)c1OC(C)=O)=O

InChI

InChI=1S/C20H13ClN2O8/c1-10(24)29-17-6-3-12(8-18(17)30-11(2)25)7-16-20(26)31-19(22-16)14-9-13(23(27)28)4-5-15(14)21/h3-9H,1-2H3

InChI Key

MYUSNXZZONXBAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.78

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.275

Distribution Coefficient, logD

3.275

Water Solubility, LogSw

-3.98

Polar Surface Area

105.433

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

2192-1364 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2192-1364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2192-1364?
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What is the minimum amount of 2192-1364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2192-1364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2192-1364
  • 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 2192-1364 available by request