8006-3223 Screening compound: 2-{[(2E)-1-(3-chlorophenyl)pyrrolidin-2-ylidene]amino}benzonitrile

8006-3223 Screening compound: 2-{[(2E)-1-(3-chlorophenyl)pyrrolidin-2-ylidene]amino}benzonitrile
8006-3223 Screening compound: 2-{[(2E)-1-(3-chlorophenyl)pyrrolidin-2-ylidene]amino}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-3223
2-{[(2E)-1-(3-chlorophenyl)pyrrolidin-2-ylidene]amino}benzonitrile

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

8006-3223

Molecular Formula

C17H14ClN3 (C17 H14 ClN3)

Compound Name

2-{[(2E)-1-(3-chlorophenyl)pyrrolidin-2-ylidene]amino}benzonitrile

IUPAC name

2-{[(2E)-1-(3-chlorophenyl)pyrrolidin-2-ylidene]amino}benzonitrile

SMILES

N#Cc(cccc1)c1/N=C(\CCC1)/N1c1cccc(Cl)c1

InChI

InChI=1S/C17H14ClN3/c18-14-6-3-7-15(11-14)21-10-4-9-17(21)20-16-8-2-1-5-13(16)12-19/h1-3,5-8,11H,4,9-10H2

InChI Key

JMYJQPJXJMGEQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00414253

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

295.77

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.660

Distribution Coefficient, logD

2.787

Water Solubility, LogSw

-4.16

Polar Surface Area

28.235

Acid Dissociation Constant (pKa)

15.42

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8006-3223 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8006-3223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-3223?
Check Price and Availability of 8006-3223, 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 8006-3223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-3223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-3223
  • 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 8006-3223 available by request