1404-0115 Screening compound: 1-benzoyl-2-(3,4-dimethoxyphenyl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

1404-0115 Screening compound: 1-benzoyl-2-(3,4-dimethoxyphenyl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
1404-0115 Screening compound: 1-benzoyl-2-(3,4-dimethoxyphenyl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1404-0115
1-benzoyl-2-(3,4-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

1404-0115

Molecular Formula

C29H23N3O3 (C29 H23 N3 O3)

Compound Name

1-benzoyl-2-(3,4-dimethoxyphenyl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

IUPAC name

1-benzoyl-2-(34-dimethoxyphenyl)-1H2H3H3aH-pyrrolo[12-a]quinoline-33-dicarbonitrile

SMILES

COc(ccc(C(C(C(c1ccccc1)=O)N1c(cccc2)c2C=CC11)C1(C#N)C#N)c1)c1OC

InChI

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

InChI Key

YAZCJJFYUKCGMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808166

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

4.552

Distribution Coefficient, logD

4.425

Water Solubility, LogSw

-4.48

Polar Surface Area

65.072

Acid Dissociation Constant (pKa)

7.87

Base Dissociation Constant (pKb)

-8.93

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

20.70

1404-0115 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 1404-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1404-0115?
Check Price and Availability of 1404-0115, 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 1404-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1404-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1404-0115
  • 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 1404-0115 available by request