8001-1388 Screening compound: 1-benzoyl-2-(2,5-dimethoxyphenyl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

8001-1388 Screening compound: 1-benzoyl-2-(2,5-dimethoxyphenyl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
8001-1388 Screening compound: 1-benzoyl-2-(2,5-dimethoxyphenyl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-1388
1-benzoyl-2-(2,5-dimethoxyphenyl)-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

8001-1388

Molecular Formula

C29H23N3O3 (C29 H23 N3 O3)

Compound Name

1-benzoyl-2-(2,5-dimethoxyphenyl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

IUPAC name

(1S2R3aR)-1-benzoyl-2-(25-dimethoxyphenyl)-1H2H3H3aH-pyrrolo[12-a]quinoline-33-dicarbonitrile

SMILES

COc(cc1)cc([C@H]([C@@H](C(c2ccccc2)=O)N2c(cccc3)c3C=C[C@@H]22)C2(C#N)C#N)c1OC

InChI

InChI=1S/C29H23N3O3/c1-34-21-13-14-24(35-2)22(16-21)26-27(28(33)20-9-4-3-5-10-20)32-23-11-7-6-8-19(23)12-15-25(32)29(26,17-30)18-31/h3-16,25-27H,1-2H3/t25-,26+,27-/m0/s1

InChI Key

OYNDJUQDHIVXHC-VJGNERBWSA-N

MDL Number (MFCD)

MFCD00741405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.069

Distribution Coefficient, logD

4.942

Water Solubility, LogSw

-4.83

Polar Surface Area

64.986

Acid Dissociation Constant (pKa)

7.87

Base Dissociation Constant (pKb)

-8.93

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

20.70

8001-1388 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 8001-1388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-1388?
Check Price and Availability of 8001-1388, 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 8001-1388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-1388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-1388
  • 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 8001-1388 available by request