4086-3451 Screening compound: (2Z)-N-(5-chloro-2-methylphenyl)-3-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-2-cyanoprop-2-enamide

4086-3451 Screening compound: (2Z)-N-(5-chloro-2-methylphenyl)-3-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-2-cyanoprop-2-enamide
4086-3451 Screening compound: (2Z)-N-(5-chloro-2-methylphenyl)-3-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-2-cyanoprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4086-3451
(2Z)-N-(5-chloro-2-methylphenyl)-3-{1-[(2-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

4086-3451

Molecular Formula

C26H19Cl2N3O (C26 H19 Cl2 N3 O)

Compound Name

(2Z)-N-(5-chloro-2-methylphenyl)-3-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-2-cyanoprop-2-enamide

IUPAC name

(2Z)-N-(5-chloro-2-methylphenyl)-3-{1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}-2-cyanoprop-2-enamide

SMILES

Cc(ccc(Cl)c1)c1NC(/C(/C#N)=C\c1cn(Cc(cccc2)c2Cl)c2c1cccc2)=O

InChI

InChI=1S/C26H19Cl2N3O/c1-17-10-11-21(27)13-24(17)30-26(32)19(14-29)12-20-16-31(25-9-5-3-7-22(20)25)15-18-6-2-4-8-23(18)28/h2-13,16H,15H2,1H3,(H,30,32)

InChI Key

IIXXXKCCXKHRRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02605153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.36

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

6.362

Distribution Coefficient, logD

6.055

Water Solubility, LogSw

-6.11

Polar Surface Area

41.420

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

4086-3451 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4086-3451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4086-3451?
Check Price and Availability of 4086-3451, 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 4086-3451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4086-3451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4086-3451
  • 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 4086-3451 available by request