8009-5782 Screening compound: 1-(4-chlorophenyl)-2-(4-nitrobenzoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

8009-5782 Screening compound: 1-(4-chlorophenyl)-2-(4-nitrobenzoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole
8009-5782 Screening compound: 1-(4-chlorophenyl)-2-(4-nitrobenzoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5782
1-(4-chlorophenyl)-2-(4-nitrobenzoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

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

8009-5782

Molecular Formula

C24H18ClN3O3 (C24 H18 ClN3 O3)

Compound Name

1-(4-chlorophenyl)-2-(4-nitrobenzoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

IUPAC name

1-(4-chlorophenyl)-2-(4-nitrobenzoyl)-1H2H3H4H9H-pyrido[34-b]indole

SMILES

[O-][N+](c(cc1)ccc1C(N(CCc1c2[nH]c3c1cccc3)C2c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C24H18ClN3O3/c25-17-9-5-15(6-10-17)23-22-20(19-3-1-2-4-21(19)26-22)13-14-27(23)24(29)16-7-11-18(12-8-16)28(30)31/h1-12,23,26H,13-14H2/t23-/m1/s1

InChI Key

KZYLIFUHWPPPSL-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD00289433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.597

Distribution Coefficient, logD

5.597

Water Solubility, LogSw

-6.33

Polar Surface Area

59.453

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

8009-5782 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8009-5782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5782?
Check Price and Availability of 8009-5782, 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 8009-5782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5782
  • 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 8009-5782 available by request