7213-0108 Screening compound: 1-[5-(3-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]-4-phenylpiperazine

7213-0108 Screening compound: 1-[5-(3-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]-4-phenylpiperazine
7213-0108 Screening compound: 1-[5-(3-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0108
1-[5-(3-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]-4-phenylpiperazine

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

7213-0108

Molecular Formula

C25H26F3N5O2 (C25 H26 F3 N5 O2)

Compound Name

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

IUPAC name

1-[(5R7S)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-3-carbonyl]-4-phenylpiperazine

SMILES

COc1cccc([C@H](C[C@H](C(F)(F)F)n2nc3)Nc2c3C(N(CC2)CCN2c2ccccc2)=O)c1

InChI

InChI=1S/C25H26F3N5O2/c1-35-19-9-5-6-17(14-19)21-15-22(25(26,27)28)33-23(30-21)20(16-29-33)24(34)32-12-10-31(11-13-32)18-7-3-2-4-8-18/h2-9,14,16,21-22,30H,10-13,15H2,1H3/t21-,22-/m1/s1

InChI Key

RTFBTXMAKKBYMS-FGZHOGPDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.51

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

4.157

Distribution Coefficient, logD

4.157

Water Solubility, LogSw

-4.18

Polar Surface Area

52.966

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.00

7213-0108 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 7213-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0108?
Check Price and Availability of 7213-0108, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7213-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0108
  • 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 7213-0108 available by request