K610-0048 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-(2,5-dimethoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

K610-0048 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-(2,5-dimethoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
K610-0048 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-(2,5-dimethoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K610-0048
5-(2H-1,3-benzodioxol-5-yl)-N-(2,5-dimethoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-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

K610-0048

Molecular Formula

C23H21F3N4O5 (C23 H21 F3 N4 O5)

Compound Name

5-(2H-1,3-benzodioxol-5-yl)-N-(2,5-dimethoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

5-(2H-13-benzodioxol-5-yl)-N-(25-dimethoxyphenyl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

COc(cc1)cc(NC(c2nn(C(CC(c(cc3)cc4c3OCO4)N3)C(F)(F)F)c3c2)=O)c1OC

InChI

InChI=1S/C23H21F3N4O5/c1-32-13-4-6-17(33-2)15(8-13)28-22(31)16-10-21-27-14(9-20(23(24,25)26)30(21)29-16)12-3-5-18-19(7-12)35-11-34-18/h3-8,10,14,20,27H,9,11H2,1-2H3,(H,28,31)

InChI Key

SQXGYNYVQNBMET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.315

Distribution Coefficient, logD

4.314

Water Solubility, LogSw

-4.37

Polar Surface Area

82.449

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.40

K610-0048 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

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

Immunological Library (6760 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system

References: we are preparing a list of scientific research reports with K610-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K610-0048?
Check Price and Availability of K610-0048, 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 K610-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K610-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K610-0048
  • 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 K610-0048 available by request