C430-0259 Screening compound: methyl 2-{[3-oxo-2-(pyridin-2-yl)-2,3-dihydro-1H-isoindol-1-yl]amino}benzoate

C430-0259 Screening compound: methyl 2-{[3-oxo-2-(pyridin-2-yl)-2,3-dihydro-1H-isoindol-1-yl]amino}benzoate
C430-0259 Screening compound: methyl 2-{[3-oxo-2-(pyridin-2-yl)-2,3-dihydro-1H-isoindol-1-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0259
methyl 2-{[3-oxo-2-(pyridin-2-yl)-2,3-dihydro-1H-isoindol-1-yl]amino}benzoate

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

C430-0259

Molecular Formula

C21H17N3O3 (C21 H17 N3 O3)

Compound Name

methyl 2-{[3-oxo-2-(pyridin-2-yl)-2,3-dihydro-1H-isoindol-1-yl]amino}benzoate

IUPAC name

methyl 2-{[3-oxo-2-(pyridin-2-yl)-23-dihydro-1H-isoindol-1-yl]amino}benzoate

SMILES

COC(c(cccc1)c1NC(c(cccc1)c1C1=O)N1c1ncccc1)=O

InChI

InChI=1S/C21H17N3O3/c1-27-21(26)16-10-4-5-11-17(16)23-19-14-8-2-3-9-15(14)20(25)24(19)18-12-6-7-13-22-18/h2-13,19,23H,1H3/t19-/m1/s1

InChI Key

AMLXQEUVUUHJDM-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14756428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.493

Distribution Coefficient, logD

3.493

Water Solubility, LogSw

-3.64

Polar Surface Area

53.378

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

C430-0259 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C430-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0259?
Check Price and Availability of C430-0259, 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 C430-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0259
  • 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 C430-0259 available by request