8002-0753 Screening compound: 1-benzoyl-2-(2-methoxyphenyl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

8002-0753 Screening compound: 1-benzoyl-2-(2-methoxyphenyl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
8002-0753 Screening compound: 1-benzoyl-2-(2-methoxyphenyl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-0753
1-benzoyl-2-(2-methoxyphenyl)-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

8002-0753

Molecular Formula

C28H21N3O2 (C28 H21 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1c([C@H]([C@@H](C(c2ccccc2)=O)N2c(cccc3)c3C=C[C@@H]22)C2(C#N)C#N)cccc1

InChI

InChI=1S/C28H21N3O2/c1-33-23-14-8-6-12-21(23)25-26(27(32)20-10-3-2-4-11-20)31-22-13-7-5-9-19(22)15-16-24(31)28(25,17-29)18-30/h2-16,24-26H,1H3/t24-,25+,26-/m0/s1

InChI Key

XKHXPBRDONDDNX-NXCFDTQHSA-N

MDL Number (MFCD)

MFCD00486727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.021

Distribution Coefficient, logD

4.894

Water Solubility, LogSw

-4.73

Polar Surface Area

57.442

Acid Dissociation Constant (pKa)

7.87

Base Dissociation Constant (pKb)

-8.93

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

17.90

8002-0753 in Drug Discovery

Included in Screening Libraries

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 8002-0753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-0753?
Check Price and Availability of 8002-0753, 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 8002-0753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-0753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-0753
  • 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 8002-0753 available by request