C430-0423 Screening compound: 2-(pyridin-3-yl)-3-{[3-(trifluoromethyl)phenyl]amino}-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of ChemDiv screening compound C430-0423
2-(pyridin-3-yl)-3-{[3-(trifluoromethyl)phenyl]amino}-2,3-dihydro-1H-isoindol-1-one
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
C430-0423
Molecular Formula
C20H14F3N3O (C20 H14 F3 N3 O)
Compound Name
2-(pyridin-3-yl)-3-{[3-(trifluoromethyl)phenyl]amino}-2,3-dihydro-1H-isoindol-1-one
IUPAC name
2-(pyridin-3-yl)-3-{[3-(trifluoromethyl)phenyl]amino}-23-dihydro-1H-isoindol-1-one
SMILES
O=C(c1c(C2Nc3cccc(C(F)(F)F)c3)cccc1)N2c1cnccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
369.35
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
4.120
Distribution Coefficient, logD
4.120
Water Solubility, LogSw
-4.36
Polar Surface Area
33.908
Acid Dissociation Constant (pKa)
14.46
Base Dissociation Constant (pKb)
1.64
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
10.00
C430-0423 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Allosteric Kinases Inhibitors Library (23117 compounds)
Anticancer Library (62698 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Cancer
- Kinases
References: we are preparing a list of scientific research reports with C430-0423 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of C430-0423, 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.
Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)