8006-4394 Screening compound: 1-benzoyl-7-fluoro-2-(2-fluorophenyl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

8006-4394 Screening compound: 1-benzoyl-7-fluoro-2-(2-fluorophenyl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
8006-4394 Screening compound: 1-benzoyl-7-fluoro-2-(2-fluorophenyl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4394
1-benzoyl-7-fluoro-2-(2-fluorophenyl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

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

8006-4394

Molecular Formula

C27H17F2N3O (C27 H17 F2 N3 O)

Compound Name

1-benzoyl-7-fluoro-2-(2-fluorophenyl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

IUPAC name

(1S2R3aR)-1-benzoyl-7-fluoro-2-(2-fluorophenyl)-1H2H3H3aH-pyrrolo[12-a]quinoline-33-dicarbonitrile

SMILES

N#CC([C@@H]([C@H]1C(c2ccccc2)=O)c(cccc2)c2F)([C@@H](C=C2)N1c(cc1)c2cc1F)C#N

InChI

InChI=1S/C27H17F2N3O/c28-19-11-12-22-18(14-19)10-13-23-27(15-30,16-31)24(20-8-4-5-9-21(20)29)25(32(22)23)26(33)17-6-2-1-3-7-17/h1-14,23-25H/t23-,24+,25-/m0/s1

InChI Key

XWOXPOUXBUXFEU-GVAUOCQISA-N

MDL Number (MFCD)

MFCD00825065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.202

Distribution Coefficient, logD

4.938

Water Solubility, LogSw

-5.42

Polar Surface Area

49.811

Acid Dissociation Constant (pKa)

7.48

Base Dissociation Constant (pKb)

-8.93

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

14.80

8006-4394 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8006-4394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4394?
Check Price and Availability of 8006-4394, 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 8006-4394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4394
  • 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 8006-4394 available by request