8010-2586 Screening compound: [4-(2-methoxyphenyl)piperazino][7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]methanone

8010-2586 Screening compound: [4-(2-methoxyphenyl)piperazino][7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]methanone
8010-2586 Screening compound: [4-(2-methoxyphenyl)piperazino][7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2586
[4-(2-methoxyphenyl)piperazino][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

8010-2586

Molecular Formula

C27H24F3N5O2 (C27 H24 F3 N5 O2)

Compound Name

[4-(2-methoxyphenyl)piperazino][7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]methanone

IUPAC name

14-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-11-(trifluoromethyl)-121317-triazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(17)246101315-heptaene

SMILES

COc(cccc1)c1N(CC1)CCN1C(c1nn2c(C(F)(F)F)c(CCc3c-4cccc3)c4nc2c1)=O

InChI

InChI=1S/C27H24F3N5O2/c1-37-22-9-5-4-8-21(22)33-12-14-34(15-13-33)26(36)20-16-23-31-24-18-7-3-2-6-17(18)10-11-19(24)25(27(28,29)30)35(23)32-20/h2-9,16H,10-15H2,1H3

InChI Key

PVTBHJGNMAEKEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01528660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.975

Distribution Coefficient, logD

4.892

Water Solubility, LogSw

-4.63

Polar Surface Area

50.418

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

8010-2586 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8010-2586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2586?
Check Price and Availability of 8010-2586, 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 8010-2586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2586
  • 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 8010-2586 available by request