8015-5821 Screening compound: [2-(3-pyridyl)piperidino][7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]methanone

8015-5821 Screening compound: [2-(3-pyridyl)piperidino][7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]methanone
8015-5821 Screening compound: [2-(3-pyridyl)piperidino][7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-5821
[2-(3-pyridyl)piperidino][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

8015-5821

Molecular Formula

C26H22F3N5O (C26 H22 F3 N5 O)

Compound Name

[2-(3-pyridyl)piperidino][7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]methanone

IUPAC name

14-[2-(pyridin-3-yl)piperidine-1-carbonyl]-11-(trifluoromethyl)-121317-triazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(17)2(7)35101315-heptaene

SMILES

O=C(c1nn2c(C(F)(F)F)c(CCc3c-4cccc3)c4nc2c1)N(CCCC1)C1c1cnccc1

InChI

InChI=1S/C26H22F3N5O/c27-26(28,29)24-19-11-10-16-6-1-2-8-18(16)23(19)31-22-14-20(32-34(22)24)25(35)33-13-4-3-9-21(33)17-7-5-12-30-15-17/h1-2,5-8,12,14-15,21H,3-4,9-11,13H2/t21-/m0/s1

InChI Key

KCEBQFZLXXJHLI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD05256963

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

477.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.486

Distribution Coefficient, logD

4.403

Water Solubility, LogSw

-4.20

Polar Surface Area

48.769

Acid Dissociation Constant (pKa)

22.03

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

8015-5821 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with 8015-5821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5821?
Check Price and Availability of 8015-5821, 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 8015-5821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5821
  • 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 8015-5821 available by request