2192-1340 Screening compound: 2-bromo-4-{[(4Z)-2-(2-chloro-5-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}-6-methoxyphenyl acetate

2192-1340 Screening compound: 2-bromo-4-{[(4Z)-2-(2-chloro-5-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}-6-methoxyphenyl acetate
2192-1340 Screening compound: 2-bromo-4-{[(4Z)-2-(2-chloro-5-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}-6-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2192-1340
2-bromo-4-{[(4Z)-2-(2-chloro-5-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}-6-methoxyphenyl 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

2192-1340

Molecular Formula

C19H12BrClN2O7 (C19 H12 BrClN2 O7)

Compound Name

2-bromo-4-{[(4Z)-2-(2-chloro-5-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}-6-methoxyphenyl acetate

IUPAC name

2-bromo-4-{[(4Z)-2-(2-chloro-5-nitrophenyl)-5-oxo-45-dihydro-13-oxazol-4-ylidene]methyl}-6-methoxyphenyl acetate

SMILES

CC(Oc(c(OC)cc(/C=C1\N=C(c(cc(cc2)[N+]([O-])=O)c2Cl)OC1=O)c1)c1Br)=O

InChI

InChI=1S/C19H12BrClN2O7/c1-9(24)29-17-13(20)5-10(7-16(17)28-2)6-15-19(25)30-18(22-15)12-8-11(23(26)27)3-4-14(12)21/h3-8H,1-2H3

InChI Key

YONXMGUBPYJSEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01169526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.67

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.845

Distribution Coefficient, logD

3.845

Water Solubility, LogSw

-4.46

Polar Surface Area

92.312

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

2192-1340 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 2192-1340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2192-1340?
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What is the minimum amount of 2192-1340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2192-1340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2192-1340
  • 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 2192-1340 available by request