7213-0124 Screening compound: 2-[5-(3-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

7213-0124 Screening compound: 2-[5-(3-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline
7213-0124 Screening compound: 2-[5-(3-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0124
2-[5-(3-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

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

7213-0124

Molecular Formula

C24H23F3N4O2 (C24 H23 F3 N4 O2)

Compound Name

2-[5-(3-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[(5R7S)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-3-carbonyl]-1234-tetrahydroisoquinoline

SMILES

COc1cccc([C@H](C[C@H](C(F)(F)F)n2nc3)Nc2c3C(N(CC2)Cc3c2cccc3)=O)c1

InChI

InChI=1S/C24H23F3N4O2/c1-33-18-8-4-7-16(11-18)20-12-21(24(25,26)27)31-22(29-20)19(13-28-31)23(32)30-10-9-15-5-2-3-6-17(15)14-30/h2-8,11,13,20-21,29H,9-10,12,14H2,1H3/t20-,21-/m1/s1

InChI Key

BRYOSWHIRRCJHL-NHCUHLMSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.391

Distribution Coefficient, logD

4.391

Water Solubility, LogSw

-4.19

Polar Surface Area

49.368

Acid Dissociation Constant (pKa)

16.49

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

7213-0124 in Drug Discovery

Included in Screening Libraries

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 7213-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0124?
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What is the minimum amount of 7213-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0124
  • 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 7213-0124 available by request