2237-1681 Screening compound: N-{4-[(4E)-4-[(2-chloro-5-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1,3-oxazol-2-yl]phenyl}acetamide

2237-1681 Screening compound: N-{4-[(4E)-4-[(2-chloro-5-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1,3-oxazol-2-yl]phenyl}acetamide
2237-1681 Screening compound: N-{4-[(4E)-4-[(2-chloro-5-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1,3-oxazol-2-yl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2237-1681
N-{4-[(4E)-4-[(2-chloro-5-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1,3-oxazol-2-yl]phenyl}acetamide

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

2237-1681

Molecular Formula

C18H12ClN3O5 (C18 H12 ClN3 O5)

Compound Name

N-{4-[(4E)-4-[(2-chloro-5-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1,3-oxazol-2-yl]phenyl}acetamide

IUPAC name

N-{4-[(4E)-4-[(2-chloro-5-nitrophenyl)methylidene]-5-oxo-45-dihydro-13-oxazol-2-yl]phenyl}acetamide

SMILES

CC(Nc(cc1)ccc1C(OC1=O)=N/C1=C/c(cc(cc1)[N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C18H12ClN3O5/c1-10(23)20-13-4-2-11(3-5-13)17-21-16(18(24)27-17)9-12-8-14(22(25)26)6-7-15(12)19/h2-9H,1H3,(H,20,23)

InChI Key

CMDLJOPROKHEOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01363562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.76

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.140

Distribution Coefficient, logD

3.140

Water Solubility, LogSw

-3.87

Polar Surface Area

87.019

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

2237-1681 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 2237-1681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2237-1681?
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What is the minimum amount of 2237-1681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2237-1681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2237-1681
  • 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 2237-1681 available by request