K953-0092 Screening compound: methyl 4-[4-(4-methylphenyl)-1-oxo-1H-isochromene-3-amido]benzoate

K953-0092 Screening compound: methyl 4-[4-(4-methylphenyl)-1-oxo-1H-isochromene-3-amido]benzoate
K953-0092 Screening compound: methyl 4-[4-(4-methylphenyl)-1-oxo-1H-isochromene-3-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K953-0092
methyl 4-[4-(4-methylphenyl)-1-oxo-1H-isochromene-3-amido]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

K953-0092

Molecular Formula

C25H19NO5 (C25 H19 NO5)

Compound Name

methyl 4-[4-(4-methylphenyl)-1-oxo-1H-isochromene-3-amido]benzoate

IUPAC name

methyl 4-[4-(4-methylphenyl)-1-oxo-1H-isochromene-3-amido]benzoate

SMILES

Cc(cc1)ccc1C(c1c2cccc1)=C(C(Nc(cc1)ccc1C(OC)=O)=O)OC2=O

InChI

InChI=1S/C25H19NO5/c1-15-7-9-16(10-8-15)21-19-5-3-4-6-20(19)25(29)31-22(21)23(27)26-18-13-11-17(12-14-18)24(28)30-2/h3-14H,1-2H3,(H,26,27)

InChI Key

PCSDTLJHNLXKCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03021126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.791

Distribution Coefficient, logD

4.790

Water Solubility, LogSw

-4.71

Polar Surface Area

65.233

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

K953-0092 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K953-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K953-0092?
Check Price and Availability of K953-0092, 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 K953-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K953-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K953-0092
  • 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 K953-0092 available by request