8020-1069 Screening compound: 4-fluorobenzyl [4-(3-phenyl-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidin-5-yl)phenyl] ether

8020-1069 Screening compound: 4-fluorobenzyl [4-(3-phenyl-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidin-5-yl)phenyl] ether
8020-1069 Screening compound: 4-fluorobenzyl [4-(3-phenyl-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidin-5-yl)phenyl] ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1069
4-fluorobenzyl [4-(3-phenyl-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidin-5-yl)phenyl] ether

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

8020-1069

Molecular Formula

C31H28FN3O (C31 H28 FN3 O)

Compound Name

4-fluorobenzyl [4-(3-phenyl-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidin-5-yl)phenyl] ether

IUPAC name

8-{4-[(4-fluorophenyl)methoxy]phenyl}-5-phenyl-237-triazatricyclo[7.6.0.0^{26}]pentadeca-1(9)357-tetraene

SMILES

Fc1ccc(COc(cc2)ccc2-c(c(CCCCCC2)c2n2nc3)nc2c3-c2ccccc2)cc1

InChI

InChI=1S/C31H28FN3O/c32-25-16-12-22(13-17-25)21-36-26-18-14-24(15-19-26)30-27-10-6-1-2-7-11-29(27)35-31(34-30)28(20-33-35)23-8-4-3-5-9-23/h3-5,8-9,12-20H,1-2,6-7,10-11,21H2

InChI Key

RTGUUNOUQJLJOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12035051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.628

Distribution Coefficient, logD

7.628

Water Solubility, LogSw

-6.18

Polar Surface Area

28.493

Acid Dissociation Constant (pKa)

27.59

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.60

8020-1069 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8020-1069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1069?
Check Price and Availability of 8020-1069, 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 8020-1069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1069
  • 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 8020-1069 available by request