7610-2600 Screening compound: 5-(3,4-dimethoxyphenyl)-N-[(oxolan-2-yl)methyl]-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

7610-2600 Screening compound: 5-(3,4-dimethoxyphenyl)-N-[(oxolan-2-yl)methyl]-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
7610-2600 Screening compound: 5-(3,4-dimethoxyphenyl)-N-[(oxolan-2-yl)methyl]-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7610-2600
5-(3,4-dimethoxyphenyl)-N-[(oxolan-2-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

7610-2600

Molecular Formula

C21H25F3N4O4 (C21 H25 F3 N4 O4)

Compound Name

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

IUPAC name

(5R7S)-5-(34-dimethoxyphenyl)-N-[(oxolan-2-yl)methyl]-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

COc(ccc([C@H](C[C@H](C(F)(F)F)n1nc2)Nc1c2C(NCC1OCCC1)=O)c1)c1OC

InChI

InChI=1S/C21H25F3N4O4/c1-30-16-6-5-12(8-17(16)31-2)15-9-18(21(22,23)24)28-19(27-15)14(11-26-28)20(29)25-10-13-4-3-7-32-13/h5-6,8,11,13,15,18,27H,3-4,7,9-10H2,1-2H3,(H,25,29)/t13?,15-,18-/m1/s1

InChI Key

BSGKMTJSQLLOLN-HQKHBYFDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.456

Distribution Coefficient, logD

2.456

Water Solubility, LogSw

-2.86

Polar Surface Area

73.843

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

52.40

7610-2600 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 7610-2600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7610-2600?
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What is the minimum amount of 7610-2600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7610-2600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7610-2600
  • 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 7610-2600 available by request