1967-9179 Screening compound: (4Z)-2-(4-methyl-3-nitrophenyl)-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

1967-9179 Screening compound: (4Z)-2-(4-methyl-3-nitrophenyl)-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
1967-9179 Screening compound: (4Z)-2-(4-methyl-3-nitrophenyl)-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1967-9179
(4Z)-2-(4-methyl-3-nitrophenyl)-4-[(thiophen-2-yl)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

1967-9179

Molecular Formula

C15H10N2O4S (C15 H10 N2 O4 S)

Compound Name

(4Z)-2-(4-methyl-3-nitrophenyl)-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-2-(4-methyl-3-nitrophenyl)-4-[(thiophen-2-yl)methylidene]-45-dihydro-13-oxazol-5-one

SMILES

Cc(ccc(C(OC1=O)=N/C1=C\c1cccs1)c1)c1[N+]([O-])=O

InChI

InChI=1S/C15H10N2O4S/c1-9-4-5-10(7-13(9)17(19)20)14-16-12(15(18)21-14)8-11-3-2-6-22-11/h2-8H,1H3

InChI Key

DZIUWPNFJXTLMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00404474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.248

Distribution Coefficient, logD

3.248

Water Solubility, LogSw

-3.68

Polar Surface Area

64.475

Acid Dissociation Constant (pKa)

28.07

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

1967-9179 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1967-9179 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1967-9179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1967-9179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1967-9179
  • 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 1967-9179 available by request