2192-1383 Screening compound: (4Z)-2-(5-methyl-2-nitrophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one

2192-1383 Screening compound: (4Z)-2-(5-methyl-2-nitrophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one
2192-1383 Screening compound: (4Z)-2-(5-methyl-2-nitrophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2192-1383
(4Z)-2-(5-methyl-2-nitrophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one

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

2192-1383

Molecular Formula

C18H14N2O4S (C18 H14 N2 O4 S)

Compound Name

(4Z)-2-(5-methyl-2-nitrophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-2-(5-methyl-2-nitrophenyl)-4-{[4-(methylsulfanyl)phenyl]methylidene}-45-dihydro-13-oxazol-5-one

SMILES

Cc(cc1)cc(C(OC2=O)=N/C2=C\c(cc2)ccc2SC)c1[N+]([O-])=O

InChI

InChI=1S/C18H14N2O4S/c1-11-3-8-16(20(22)23)14(9-11)17-19-15(18(21)24-17)10-12-4-6-13(25-2)7-5-12/h3-10H,1-2H3

InChI Key

HPAUZJXHBCBUBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.035

Distribution Coefficient, logD

4.035

Water Solubility, LogSw

-4.27

Polar Surface Area

63.456

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 2192-1383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2192-1383?
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What is the minimum amount of 2192-1383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2192-1383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2192-1383
  • 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 2192-1383 available by request