2113-0234 Screening compound: (4Z)-2-(3-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

2113-0234 Screening compound: (4Z)-2-(3-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
2113-0234 Screening compound: (4Z)-2-(3-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2113-0234
(4Z)-2-(3-methoxyphenyl)-4-[(3-methylthiophen-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

2113-0234

Molecular Formula

C16H13NO3S (C16 H13 NO3 S)

Compound Name

(4Z)-2-(3-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-2-(3-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methylidene]-45-dihydro-13-oxazol-5-one

SMILES

Cc1c(/C=C2\N=C(c3cc(OC)ccc3)OC2=O)scc1

InChI

InChI=1S/C16H13NO3S/c1-10-6-7-21-14(10)9-13-16(18)20-15(17-13)11-4-3-5-12(8-11)19-2/h3-9H,1-2H3

InChI Key

PIBCKVSMRKHTLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.531

Distribution Coefficient, logD

3.531

Water Solubility, LogSw

-3.85

Polar Surface Area

38.938

Acid Dissociation Constant (pKa)

28.49

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

2113-0234 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 2113-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2113-0234?
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What is the minimum amount of 2113-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2113-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2113-0234
  • 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 2113-0234 available by request