8012-8045 Screening compound: 2-oxo-N-{2-[4-(trifluoromethyl)benzamido]phenyl}-2H-chromene-3-carboxamide

8012-8045 Screening compound: 2-oxo-N-{2-[4-(trifluoromethyl)benzamido]phenyl}-2H-chromene-3-carboxamide
8012-8045 Screening compound: 2-oxo-N-{2-[4-(trifluoromethyl)benzamido]phenyl}-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8045
2-oxo-N-{2-[4-(trifluoromethyl)benzamido]phenyl}-2H-chromene-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

8012-8045

Molecular Formula

C24H15F3N2O4 (C24 H15 F3 N2 O4)

Compound Name

2-oxo-N-{2-[4-(trifluoromethyl)benzamido]phenyl}-2H-chromene-3-carboxamide

IUPAC name

2-oxo-N-{2-[4-(trifluoromethyl)benzamido]phenyl}-2H-chromene-3-carboxamide

SMILES

O=C(c1ccc(C(F)(F)F)cc1)Nc(cccc1)c1NC(C1=Cc(cccc2)c2OC1=O)=O

InChI

InChI=1S/C24H15F3N2O4/c25-24(26,27)16-11-9-14(10-12-16)21(30)28-18-6-2-3-7-19(18)29-22(31)17-13-15-5-1-4-8-20(15)33-23(17)32/h1-13H,(H,28,30)(H,29,31)

InChI Key

UDXMZHVNBPRWGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03133592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.350

Distribution Coefficient, logD

4.109

Water Solubility, LogSw

-4.75

Polar Surface Area

65.947

Acid Dissociation Constant (pKa)

7.53

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

8012-8045 in Drug Discovery

Included in Screening Libraries

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8012-8045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8045?
Check Price and Availability of 8012-8045, 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 8012-8045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8045
  • 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 8012-8045 available by request