K088-3094 Screening compound: (4E)-2-(3-bromo-4-methoxyphenyl)-4-[(2-chloro-6-fluorophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

K088-3094 Screening compound: (4E)-2-(3-bromo-4-methoxyphenyl)-4-[(2-chloro-6-fluorophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
K088-3094 Screening compound: (4E)-2-(3-bromo-4-methoxyphenyl)-4-[(2-chloro-6-fluorophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K088-3094
(4E)-2-(3-bromo-4-methoxyphenyl)-4-[(2-chloro-6-fluorophenyl)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

K088-3094

Molecular Formula

C17H10BrClFNO3 (C17 H10 BrClFNO3)

Compound Name

(4E)-2-(3-bromo-4-methoxyphenyl)-4-[(2-chloro-6-fluorophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4E)-2-(3-bromo-4-methoxyphenyl)-4-[(2-chloro-6-fluorophenyl)methylidene]-45-dihydro-13-oxazol-5-one

SMILES

COc(ccc(C(OC1=O)=N/C1=C/c(c(F)ccc1)c1Cl)c1)c1Br

InChI

InChI=1S/C17H10BrClFNO3/c1-23-15-6-5-9(7-11(15)18)16-21-14(17(22)24-16)8-10-12(19)3-2-4-13(10)20/h2-8H,1H3

InChI Key

KBDCGXPZPUEHJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01533610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.63

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

4.291

Distribution Coefficient, logD

4.291

Water Solubility, LogSw

-4.69

Polar Surface Area

38.006

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with K088-3094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K088-3094?
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What is the minimum amount of K088-3094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K088-3094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K088-3094
  • 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 K088-3094 available by request