8011-5863 Screening compound: 2-(4-chloro-3-nitrophenyl)-2,3-dihydro-1H-perimidine

8011-5863 Screening compound: 2-(4-chloro-3-nitrophenyl)-2,3-dihydro-1H-perimidine
8011-5863 Screening compound: 2-(4-chloro-3-nitrophenyl)-2,3-dihydro-1H-perimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5863
2-(4-chloro-3-nitrophenyl)-2,3-dihydro-1H-perimidine

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

8011-5863

Molecular Formula

C17H12ClN3O2 (C17 H12 ClN3 O2)

Compound Name

2-(4-chloro-3-nitrophenyl)-2,3-dihydro-1H-perimidine

IUPAC name

2-(4-chloro-3-nitrophenyl)-23-dihydro-1H-perimidine

SMILES

[O-][N+](c(cc(C(N1)Nc2cccc3cccc1c23)cc1)c1Cl)=O

InChI

InChI=1S/C17H12ClN3O2/c18-12-8-7-11(9-15(12)21(22)23)17-19-13-5-1-3-10-4-2-6-14(20-17)16(10)13/h1-9,17,19-20H

InChI Key

QNPAWQQYFSBQPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02077387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.75

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.164

Distribution Coefficient, logD

4.164

Water Solubility, LogSw

-4.70

Polar Surface Area

55.664

Acid Dissociation Constant (pKa)

16.70

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

8011-5863 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-5863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5863?
Check Price and Availability of 8011-5863, 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 8011-5863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5863
  • 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 8011-5863 available by request