8003-4230 Screening compound: 7-chloro-1-(4-methylbenzoyl)-2-phenyl-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

8003-4230 Screening compound: 7-chloro-1-(4-methylbenzoyl)-2-phenyl-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
8003-4230 Screening compound: 7-chloro-1-(4-methylbenzoyl)-2-phenyl-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4230
7-chloro-1-(4-methylbenzoyl)-2-phenyl-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

8003-4230

Molecular Formula

C28H20ClN3O (C28 H20 ClN3 O)

Compound Name

7-chloro-1-(4-methylbenzoyl)-2-phenyl-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

IUPAC name

(1S2S3aR)-7-chloro-1-(4-methylbenzoyl)-2-phenyl-1H2H3H3aH-pyrrolo[12-a]quinoline-33-dicarbonitrile

SMILES

Cc(cc1)ccc1C([C@H]([C@H](C([C@H]1C=C2)(C#N)C#N)c3ccccc3)N1c(cc1)c2cc1Cl)=O

InChI

InChI=1S/C28H20ClN3O/c1-18-7-9-20(10-8-18)27(33)26-25(19-5-3-2-4-6-19)28(16-30,17-31)24-14-11-21-15-22(29)12-13-23(21)32(24)26/h2-15,24-26H,1H3/t24-,25-,26-/m0/s1

InChI Key

NPTFPJMIBFTQJX-GSDHBNRESA-N

MDL Number (MFCD)

MFCD00306447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.94

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

6.146

Distribution Coefficient, logD

5.883

Water Solubility, LogSw

-6.18

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

17.90

8003-4230 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8003-4230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4230?
Check Price and Availability of 8003-4230, 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 8003-4230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4230
  • 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 8003-4230 available by request