2192-1356 Screening compound: 4-bromo-2-{[(4Z)-2-(2-chloro-5-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate

2192-1356 Screening compound: 4-bromo-2-{[(4Z)-2-(2-chloro-5-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate
2192-1356 Screening compound: 4-bromo-2-{[(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 2192-1356
4-bromo-2-{[(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

2192-1356

Molecular Formula

C18H10BrClN2O6 (C18 H10 BrClN2 O6)

Compound Name

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

IUPAC name

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

SMILES

CC(Oc(cc1)c(/C=C2\N=C(c(cc(cc3)[N+]([O-])=O)c3Cl)OC2=O)cc1Br)=O

InChI

InChI=1S/C18H10BrClN2O6/c1-9(23)27-16-5-2-11(19)6-10(16)7-15-18(24)28-17(21-15)13-8-12(22(25)26)3-4-14(13)20/h2-8H,1H3

InChI Key

DEEDUKOHPSSBHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.64

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

4.023

Distribution Coefficient, logD

4.023

Water Solubility, LogSw

-4.54

Polar Surface Area

84.595

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

2192-1356 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 2192-1356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2192-1356?
Check Price and Availability of 2192-1356, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2192-1356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2192-1356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2192-1356
  • 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 2192-1356 available by request