K953-0185 Screening compound: 1-oxo-4-phenyl-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)-1H-isochromene-3-carboxamide

K953-0185 Screening compound: 1-oxo-4-phenyl-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)-1H-isochromene-3-carboxamide
K953-0185 Screening compound: 1-oxo-4-phenyl-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)-1H-isochromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K953-0185
1-oxo-4-phenyl-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)-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

K953-0185

Molecular Formula

C28H18N4O3 (C28 H18 N4 O3)

Compound Name

1-oxo-4-phenyl-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)-1H-isochromene-3-carboxamide

IUPAC name

1-oxo-4-phenyl-N-(2-phenyl-2H-123-benzotriazol-5-yl)-1H-isochromene-3-carboxamide

SMILES

O=C(C(O1)=C(c2ccccc2)c(cccc2)c2C1=O)Nc1cc2nn(-c3ccccc3)nc2cc1

InChI

InChI=1S/C28H18N4O3/c33-27(29-19-15-16-23-24(17-19)31-32(30-23)20-11-5-2-6-12-20)26-25(18-9-3-1-4-10-18)21-13-7-8-14-22(21)28(34)35-26/h1-17H,(H,29,33)

InChI Key

DSCCJMBDXAMTDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03021156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.325

Distribution Coefficient, logD

5.322

Water Solubility, LogSw

-5.75

Polar Surface Area

68.093

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

K953-0185 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K953-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K953-0185?
Check Price and Availability of K953-0185, 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 K953-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K953-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K953-0185
  • 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 K953-0185 available by request