4286-0225 Screening compound: (2Z)-3-amino-2-{[(2Z)-3-oxo-2,3-dihydro-1H-indol-2-ylidene]methyl}-3-[(2-phenylethyl)amino]prop-2-enenitrile

4286-0225 Screening compound: (2Z)-3-amino-2-{[(2Z)-3-oxo-2,3-dihydro-1H-indol-2-ylidene]methyl}-3-[(2-phenylethyl)amino]prop-2-enenitrile
4286-0225 Screening compound: (2Z)-3-amino-2-{[(2Z)-3-oxo-2,3-dihydro-1H-indol-2-ylidene]methyl}-3-[(2-phenylethyl)amino]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4286-0225
(2Z)-3-amino-2-{[(2Z)-3-oxo-2,3-dihydro-1H-indol-2-ylidene]methyl}-3-[(2-phenylethyl)amino]prop-2-enenitrile

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

4286-0225

Molecular Formula

C20H18N4O (C20 H18 N4 O)

Compound Name

(2Z)-3-amino-2-{[(2Z)-3-oxo-2,3-dihydro-1H-indol-2-ylidene]methyl}-3-[(2-phenylethyl)amino]prop-2-enenitrile

IUPAC name

(2Z)-3-amino-2-{[(2Z)-3-oxo-23-dihydro-1H-indol-2-ylidene]methyl}-3-[(2-phenylethyl)amino]prop-2-enenitrile

SMILES

N/C(/NCCc1ccccc1)=C(\C=C1/Nc(cccc2)c2C1=O)/C#N

InChI

InChI=1S/C20H18N4O/c21-13-15(20(22)23-11-10-14-6-2-1-3-7-14)12-18-19(25)16-8-4-5-9-17(16)24-18/h1-9,12,23-24H,10-11,22H2

InChI Key

GVKZFBIWLZGQEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02932596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.638

Distribution Coefficient, logD

2.637

Water Solubility, LogSw

-3.60

Polar Surface Area

74.808

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4286-0225 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4286-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4286-0225?
Check Price and Availability of 4286-0225, 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 4286-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4286-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4286-0225
  • 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 4286-0225 available by request