K503-0076 Screening compound: N-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

K503-0076 Screening compound: N-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
K503-0076 Screening compound: N-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K503-0076
N-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-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

K503-0076

Molecular Formula

C26H14F3N5O3S (C26 H14 F3 N5 O3 S)

Compound Name

N-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

N-[4-(2-oxo-2H-chromen-3-yl)-13-thiazol-2-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

O=C(c(cnn1c(C(F)(F)F)c2)c1nc2-c1ccccc1)Nc1nc(C2=Cc(cccc3)c3OC2=O)cs1

InChI

InChI=1S/C26H14F3N5O3S/c27-26(28,29)21-11-18(14-6-2-1-3-7-14)31-22-17(12-30-34(21)22)23(35)33-25-32-19(13-38-25)16-10-15-8-4-5-9-20(15)37-24(16)36/h1-13H,(H,32,33,35)

InChI Key

ALUXGIMWKALBAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.823

Distribution Coefficient, logD

5.740

Water Solubility, LogSw

-5.89

Polar Surface Area

72.956

Acid Dissociation Constant (pKa)

8.08

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

K503-0076 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K503-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K503-0076?
Check Price and Availability of K503-0076, 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 K503-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K503-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K503-0076
  • 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 K503-0076 available by request