K091-1126 Screening compound: (4Z)-4-{[(2,4-dibromophenyl)amino]methylidene}-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one

K091-1126 Screening compound: (4Z)-4-{[(2,4-dibromophenyl)amino]methylidene}-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one
K091-1126 Screening compound: (4Z)-4-{[(2,4-dibromophenyl)amino]methylidene}-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K091-1126
(4Z)-4-{[(2,4-dibromophenyl)amino]methylidene}-2-(4-methylphenyl)-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

K091-1126

Molecular Formula

C17H12Br2N2O2 (C17 H12 Br2 N2 O2)

Compound Name

(4Z)-4-{[(2,4-dibromophenyl)amino]methylidene}-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-4-{[(24-dibromophenyl)amino]methylidene}-2-(4-methylphenyl)-45-dihydro-13-oxazol-5-one

SMILES

Cc(cc1)ccc1C(OC1=O)=N/C1=C\Nc(ccc(Br)c1)c1Br

InChI

InChI=1S/C17H12Br2N2O2/c1-10-2-4-11(5-3-10)16-21-15(17(22)23-16)9-20-14-7-6-12(18)8-13(14)19/h2-9,20H,1H3

InChI Key

CRNSUBWMWMTZKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.1

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.767

Distribution Coefficient, logD

4.755

Water Solubility, LogSw

-4.61

Polar Surface Area

41.279

Acid Dissociation Constant (pKa)

8.95

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with K091-1126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K091-1126?
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What is the minimum amount of K091-1126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K091-1126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K091-1126
  • 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 K091-1126 available by request