6049-0062 Screening compound: 5-(3,4-dimethoxyphenyl)-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

6049-0062 Screening compound: 5-(3,4-dimethoxyphenyl)-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
6049-0062 Screening compound: 5-(3,4-dimethoxyphenyl)-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-0062
5-(3,4-dimethoxyphenyl)-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-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

6049-0062

Molecular Formula

C26H25F3N6O3 (C26 H25 F3 N6 O3)

Compound Name

5-(3,4-dimethoxyphenyl)-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

5-(34-dimethoxyphenyl)-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

COc(ccc(C(C1)Nc2cc(C(NCc(cc3)ccc3-n3nccc3)=O)nn2C1C(F)(F)F)c1)c1OC

InChI

InChI=1S/C26H25F3N6O3/c1-37-21-9-6-17(12-22(21)38-2)19-13-23(26(27,28)29)35-24(32-19)14-20(33-35)25(36)30-15-16-4-7-18(8-5-16)34-11-3-10-31-34/h3-12,14,19,23,32H,13,15H2,1-2H3,(H,30,36)

InChI Key

KVJWWMPSQOYBIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03074029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.845

Distribution Coefficient, logD

3.845

Water Solubility, LogSw

-4.10

Polar Surface Area

81.815

Acid Dissociation Constant (pKa)

13.55

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.90

6049-0062 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 6049-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-0062?
Check Price and Availability of 6049-0062, 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 6049-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-0062
  • 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 6049-0062 available by request