0508-1894 Screening compound: N~1~-benzo[cd]indol-2-yl-4-nitrobenzamide

0508-1894 Screening compound: N~1~-benzo[cd]indol-2-yl-4-nitrobenzamide
0508-1894 Screening compound: N~1~-benzo[cd]indol-2-yl-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0508-1894
N~1~-benzo[cd]indol-2-yl-4-nitrobenzamide

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

0508-1894

Molecular Formula

C18H11N3O3 (C18 H11 N3 O3)

Compound Name

N~1~-benzo[cd]indol-2-yl-4-nitrobenzamide

IUPAC name

N-{2-azatricyclo[6.3.1.0^{412}]dodeca-1(11)24(12)579-hexaen-3-yl}-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)ccc1C(NC(c1ccc2)=Nc3c1c2ccc3)=O)=O

InChI

InChI=1S/C18H11N3O3/c22-18(12-7-9-13(10-8-12)21(23)24)20-17-14-5-1-3-11-4-2-6-15(19-17)16(11)14/h1-10H,(H,19,20,22)

InChI Key

PGQWCAFIIOBKKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00988065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.363

Distribution Coefficient, logD

3.363

Water Solubility, LogSw

-4.19

Polar Surface Area

66.407

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0508-1894 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0508-1894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0508-1894?
Check Price and Availability of 0508-1894, 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 0508-1894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0508-1894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0508-1894
  • 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 0508-1894 available by request