K091-0577 Screening compound: (4E)-4-{[(2-bromo-4-methylphenyl)amino]methylidene}-2-(naphthalen-1-yl)-4,5-dihydro-1,3-oxazol-5-one

K091-0577 Screening compound: (4E)-4-{[(2-bromo-4-methylphenyl)amino]methylidene}-2-(naphthalen-1-yl)-4,5-dihydro-1,3-oxazol-5-one
K091-0577 Screening compound: (4E)-4-{[(2-bromo-4-methylphenyl)amino]methylidene}-2-(naphthalen-1-yl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K091-0577
(4E)-4-{[(2-bromo-4-methylphenyl)amino]methylidene}-2-(naphthalen-1-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

K091-0577

Molecular Formula

C21H15BrN2O2 (C21 H15 BrN2 O2)

Compound Name

(4E)-4-{[(2-bromo-4-methylphenyl)amino]methylidene}-2-(naphthalen-1-yl)-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4E)-4-{[(2-bromo-4-methylphenyl)amino]methylidene}-2-(naphthalen-1-yl)-45-dihydro-13-oxazol-5-one

SMILES

Cc(cc1)cc(Br)c1N/C=C1/N=C(c2cccc3ccccc23)OC1=O

InChI

InChI=1S/C21H15BrN2O2/c1-13-9-10-18(17(22)11-13)23-12-19-21(25)26-20(24-19)16-8-4-6-14-5-2-3-7-15(14)16/h2-12,23H,1H3

InChI Key

JCMUUMGUSGHLAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01531857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.27

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

4.914

Distribution Coefficient, logD

4.914

Water Solubility, LogSw

-5.43

Polar Surface Area

41.007

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with K091-0577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K091-0577?
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What is the minimum amount of K091-0577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K091-0577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K091-0577
  • 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 K091-0577 available by request