3254-1245 Screening compound: 2-(2-chloro-5-nitrophenyl)-2,3-dihydro-1H-perimidine

3254-1245 Screening compound: 2-(2-chloro-5-nitrophenyl)-2,3-dihydro-1H-perimidine
3254-1245 Screening compound: 2-(2-chloro-5-nitrophenyl)-2,3-dihydro-1H-perimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-1245
2-(2-chloro-5-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

3254-1245

Molecular Formula

C17H12ClN3O2 (C17 H12 ClN3 O2)

Compound Name

2-(2-chloro-5-nitrophenyl)-2,3-dihydro-1H-perimidine

IUPAC name

2-(2-chloro-5-nitrophenyl)-23-dihydro-1H-perimidine

SMILES

[O-][N+](c(cc1)cc(C(N2)Nc3cccc4cccc2c34)c1Cl)=O

InChI

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

InChI Key

IIWIPLGHHRKVMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02077403

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

4.482

Distribution Coefficient, logD

4.482

Water Solubility, LogSw

-4.73

Polar Surface Area

55.965

Acid Dissociation Constant (pKa)

17.12

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

3254-1245 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3254-1245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-1245?
Check Price and Availability of 3254-1245, 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 3254-1245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-1245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-1245
  • 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 3254-1245 available by request