6049-2121 Screening compound: (5S,7R)-N~3~-METHYL-5-PHENYL-7-(TRIFLUOROMETHYL)-N~3~-[(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)METHYL]-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE

6049-2121 Screening compound: (5S,7R)-N~3~-METHYL-5-PHENYL-7-(TRIFLUOROMETHYL)-N~3~-[(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)METHYL]-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE
6049-2121 Screening compound: (5S,7R)-N~3~-METHYL-5-PHENYL-7-(TRIFLUOROMETHYL)-N~3~-[(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)METHYL]-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-2121
(5S,7R)-N~3~-METHYL-5-PHENYL-7-(TRIFLUOROMETHYL)-N~3~-[(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)METHYL]-4,5,6,7-TETRAHYDROPYRAZOLO[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

6049-2121

Molecular Formula

C22H25F3N6O (C22 H25 F3 N6 O)

Compound Name

(5S,7R)-N~3~-METHYL-5-PHENYL-7-(TRIFLUOROMETHYL)-N~3~-[(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)METHYL]-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE

IUPAC name

n/a

SMILES

Cc1c(CN(C)C(c2c(N[C@@H](C[C@@H]3C(F)(F)F)c4ccccc4)n3nc2)=O)c(C)nn1C

InChI

InChI=1S/C22H25F3N6O/c1-13-17(14(2)30(4)28-13)12-29(3)21(32)16-11-26-31-19(22(23,24)25)10-18(27-20(16)31)15-8-6-5-7-9-15/h5-9,11,18-19,27H,10,12H2,1-4H3/t18-,19-/m1/s1

InChI Key

MAZBGIXMIDUEJD-RTBURBONSA-N

MDL Number (MFCD)

MFCD02055791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.731

Distribution Coefficient, logD

2.731

Water Solubility, LogSw

-3.23

Polar Surface Area

56.504

Acid Dissociation Constant (pKa)

15.99

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.90

6049-2121 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6049-2121 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 6049-2121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-2121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-2121
  • 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 6049-2121 available by request