K091-1102 Screening compound: methyl 4-({[(4E)-2-(4-methylphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)benzoate

K091-1102 Screening compound: methyl 4-({[(4E)-2-(4-methylphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)benzoate
K091-1102 Screening compound: methyl 4-({[(4E)-2-(4-methylphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K091-1102
methyl 4-({[(4E)-2-(4-methylphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)benzoate

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

K091-1102

Molecular Formula

C19H16N2O4 (C19 H16 N2 O4)

Compound Name

methyl 4-({[(4E)-2-(4-methylphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)benzoate

IUPAC name

methyl 4-({[(4E)-2-(4-methylphenyl)-5-oxo-45-dihydro-13-oxazol-4-ylidene]methyl}amino)benzoate

SMILES

Cc(cc1)ccc1C(OC1=O)=N/C1=C/Nc(cc1)ccc1C(OC)=O

InChI

InChI=1S/C19H16N2O4/c1-12-3-5-13(6-4-12)17-21-16(19(23)25-17)11-20-15-9-7-14(8-10-15)18(22)24-2/h3-11,20H,1-2H3

InChI Key

RNMXYZNSHHWUIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.556

Distribution Coefficient, logD

3.555

Water Solubility, LogSw

-3.62

Polar Surface Area

63.150

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with K091-1102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K091-1102?
Check Price and Availability of K091-1102, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K091-1102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K091-1102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K091-1102
  • 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 K091-1102 available by request