1894-8996 Screening compound: (4Z)-4-[(3-iodophenyl)methylidene]-2-(thiophen-2-yl)-4,5-dihydro-1,3-oxazol-5-one

1894-8996 Screening compound: (4Z)-4-[(3-iodophenyl)methylidene]-2-(thiophen-2-yl)-4,5-dihydro-1,3-oxazol-5-one
1894-8996 Screening compound: (4Z)-4-[(3-iodophenyl)methylidene]-2-(thiophen-2-yl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1894-8996
(4Z)-4-[(3-iodophenyl)methylidene]-2-(thiophen-2-yl)-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

1894-8996

Molecular Formula

C14H8INO2S (C14 H8 INO2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C1OC(c2cccs2)=N/C1=C\c1cccc(I)c1

InChI

InChI=1S/C14H8INO2S/c15-10-4-1-3-9(7-10)8-11-14(17)18-13(16-11)12-5-2-6-19-12/h1-8H

InChI Key

ICYSYBWFQFQZLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.053

Distribution Coefficient, logD

4.053

Water Solubility, LogSw

-4.30

Polar Surface Area

31.394

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1894-8996 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1894-8996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1894-8996?
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What is the minimum amount of 1894-8996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1894-8996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1894-8996
  • 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 1894-8996 available by request