6049-2183 Screening compound: N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

6049-2183 Screening compound: N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
6049-2183 Screening compound: N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-2183
N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}-5-phenyl-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

6049-2183

Molecular Formula

C25H23F3N6O (C25 H23 F3 N6 O)

Compound Name

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

IUPAC name

N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}-5-phenyl-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

Cc1ccc(Cn(cc2)nc2NC(c2nn(C(CC(c3ccccc3)N3)C(F)(F)F)c3c2)=O)cc1

InChI

InChI=1S/C25H23F3N6O/c1-16-7-9-17(10-8-16)15-33-12-11-22(32-33)30-24(35)20-14-23-29-19(18-5-3-2-4-6-18)13-21(25(26,27)28)34(23)31-20/h2-12,14,19,21,29H,13,15H2,1H3,(H,30,32,35)

InChI Key

IYIDQLZZHFJGNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02056113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.022

Distribution Coefficient, logD

5.021

Water Solubility, LogSw

-4.59

Polar Surface Area

65.813

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.00

6049-2183 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6049-2183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-2183?
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What is the minimum amount of 6049-2183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-2183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-2183
  • 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 6049-2183 available by request