4086-2461 Screening compound: (2Z)-N-(3-chlorophenyl)-3-{1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}-2-cyanoprop-2-enamide

4086-2461 Screening compound: (2Z)-N-(3-chlorophenyl)-3-{1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}-2-cyanoprop-2-enamide
4086-2461 Screening compound: (2Z)-N-(3-chlorophenyl)-3-{1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}-2-cyanoprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4086-2461
(2Z)-N-(3-chlorophenyl)-3-{1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}-2-cyanoprop-2-enamide

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

4086-2461

Molecular Formula

C25H17Cl2N3O (C25 H17 Cl2 N3 O)

Compound Name

(2Z)-N-(3-chlorophenyl)-3-{1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}-2-cyanoprop-2-enamide

IUPAC name

(2Z)-N-(3-chlorophenyl)-3-{1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}-2-cyanoprop-2-enamide

SMILES

N#C/C(/C(Nc1cccc(Cl)c1)=O)=C/c1cn(Cc(cc2)ccc2Cl)c2c1cccc2

InChI

InChI=1S/C25H17Cl2N3O/c26-20-10-8-17(9-11-20)15-30-16-19(23-6-1-2-7-24(23)30)12-18(14-28)25(31)29-22-5-3-4-21(27)13-22/h1-13,16H,15H2,(H,29,31)

InChI Key

IMYUUDTZLFYOGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02604832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.407

Distribution Coefficient, logD

6.204

Water Solubility, LogSw

-6.40

Polar Surface Area

42.118

Acid Dissociation Constant (pKa)

7.63

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

4086-2461 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4086-2461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4086-2461?
Check Price and Availability of 4086-2461, 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 4086-2461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4086-2461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4086-2461
  • 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 4086-2461 available by request