K953-0340 Screening compound: N-[3-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxamide

K953-0340 Screening compound: N-[3-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxamide
K953-0340 Screening compound: N-[3-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K953-0340
N-[3-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxamide

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

K953-0340

Molecular Formula

C29H24N2O3 (C29 H24 N2 O3)

Compound Name

N-[3-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxamide

IUPAC name

N-[3-(25-dimethyl-1H-pyrrol-1-yl)phenyl]-4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxamide

SMILES

Cc1ccc(C)n1-c1cccc(NC(C(O2)=C(c3ccc(C)cc3)c(cccc3)c3C2=O)=O)c1

InChI

InChI=1S/C29H24N2O3/c1-18-11-15-21(16-12-18)26-24-9-4-5-10-25(24)29(33)34-27(26)28(32)30-22-7-6-8-23(17-22)31-19(2)13-14-20(31)3/h4-17H,1-3H3,(H,30,32)

InChI Key

FYKUPIPDHOCBBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.734

Distribution Coefficient, logD

5.734

Water Solubility, LogSw

-5.53

Polar Surface Area

46.948

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

K953-0340 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K953-0340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K953-0340?
Check Price and Availability of K953-0340, 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 K953-0340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K953-0340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K953-0340
  • 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 K953-0340 available by request