6049-1903 Screening compound: 5-(4-bromophenyl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

6049-1903 Screening compound: 5-(4-bromophenyl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
6049-1903 Screening compound: 5-(4-bromophenyl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-1903
5-(4-bromophenyl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-(trifluoromethyl)-4H,5H,6H,7H-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

6049-1903

Molecular Formula

C20H20BrF3N6O (C20 H20 BrF3 N6 O)

Compound Name

5-(4-bromophenyl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

5-(4-bromophenyl)-N-[(15-dimethyl-1H-pyrazol-4-yl)methyl]-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

Cc1c(CNC(c2c(NC(CC3C(F)(F)F)c(cc4)ccc4Br)n3nc2)=O)cnn1C

InChI

InChI=1S/C20H20BrF3N6O/c1-11-13(9-26-29(11)2)8-25-19(31)15-10-27-30-17(20(22,23)24)7-16(28-18(15)30)12-3-5-14(21)6-4-12/h3-6,9-10,16-17,28H,7-8H2,1-2H3,(H,25,31)

InChI Key

FYPSNNHDWCJWJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01922785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.773

Distribution Coefficient, logD

3.773

Water Solubility, LogSw

-3.92

Polar Surface Area

64.414

Acid Dissociation Constant (pKa)

13.77

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

6049-1903 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6049-1903 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-1903?
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What is the minimum amount of 6049-1903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-1903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-1903
  • 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 6049-1903 available by request