7213-0019 Screening compound: (2,5-dimethylpiperidino)[7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]methanone

7213-0019 Screening compound: (2,5-dimethylpiperidino)[7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]methanone
7213-0019 Screening compound: (2,5-dimethylpiperidino)[7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0019
(2,5-dimethylpiperidino)[7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]methanone

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

7213-0019

Molecular Formula

C23H23F3N4O (C23 H23 F3 N4 O)

Compound Name

(2,5-dimethylpiperidino)[7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]methanone

IUPAC name

14-(25-dimethylpiperidine-1-carbonyl)-11-(trifluoromethyl)-121317-triazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(17)246101315-heptaene

SMILES

CC(CCC1C)CN1C(c1nn2c(C(F)(F)F)c(CCc3c-4cccc3)c4nc2c1)=O

InChI

InChI=1S/C23H23F3N4O/c1-13-7-8-14(2)29(12-13)22(31)18-11-19-27-20-16-6-4-3-5-15(16)9-10-17(20)21(23(24,25)26)30(19)28-18/h3-6,11,13-14H,7-10,12H2,1-2H3

InChI Key

BCKUTQGKCPYHSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02055642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.444

Distribution Coefficient, logD

5.361

Water Solubility, LogSw

-5.43

Polar Surface Area

39.047

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with 7213-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0019?
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What is the minimum amount of 7213-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0019
  • 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 7213-0019 available by request