K815-0024 Screening compound: methyl 4-[(1E)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-oxoprop-1-en-1-yl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

K815-0024 Screening compound: methyl 4-[(1E)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-oxoprop-1-en-1-yl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
K815-0024 Screening compound: methyl 4-[(1E)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-oxoprop-1-en-1-yl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K815-0024
methyl 4-[(1E)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-oxoprop-1-en-1-yl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

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

K815-0024

Molecular Formula

C25H19NO6 (C25 H19 NO6)

Compound Name

methyl 4-[(1E)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-oxoprop-1-en-1-yl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

IUPAC name

methyl 4-[(1E)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-oxoprop-1-en-1-yl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate

SMILES

Cc1c(C(OC)=O)c(/C=C/C(C(C(Oc2c3cccc2)=O)=C3O)=O)c(-c2ccccc2)[nH]1

InChI

InChI=1S/C25H19NO6/c1-14-20(24(29)31-2)17(22(26-14)15-8-4-3-5-9-15)12-13-18(27)21-23(28)16-10-6-7-11-19(16)32-25(21)30/h3-13,26,28H,1-2H3

InChI Key

QQCJQXCQMLXCIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03019894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.452

Distribution Coefficient, logD

-1.431

Water Solubility, LogSw

-3.78

Polar Surface Area

81.090

Acid Dissociation Constant (pKa)

2.52

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

K815-0024 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K815-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K815-0024?
Check Price and Availability of K815-0024, 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 K815-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K815-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K815-0024
  • 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 K815-0024 available by request