C430-0244 Screening compound: 1,3-dimethyl 5-{[3-oxo-2-(pyridin-2-yl)-2,3-dihydro-1H-isoindol-1-yl]amino}benzene-1,3-dicarboxylate

C430-0244 Screening compound: 1,3-dimethyl 5-{[3-oxo-2-(pyridin-2-yl)-2,3-dihydro-1H-isoindol-1-yl]amino}benzene-1,3-dicarboxylate
C430-0244 Screening compound: 1,3-dimethyl 5-{[3-oxo-2-(pyridin-2-yl)-2,3-dihydro-1H-isoindol-1-yl]amino}benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0244
1,3-dimethyl 5-{[3-oxo-2-(pyridin-2-yl)-2,3-dihydro-1H-isoindol-1-yl]amino}benzene-1,3-dicarboxylate

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

C430-0244

Molecular Formula

C23H19N3O5 (C23 H19 N3 O5)

Compound Name

1,3-dimethyl 5-{[3-oxo-2-(pyridin-2-yl)-2,3-dihydro-1H-isoindol-1-yl]amino}benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-{[3-oxo-2-(pyridin-2-yl)-23-dihydro-1H-isoindol-1-yl]amino}benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(c(cccc2)c2C2=O)N2c2ncccc2)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C23H19N3O5/c1-30-22(28)14-11-15(23(29)31-2)13-16(12-14)25-20-17-7-3-4-8-18(17)21(27)26(20)19-9-5-6-10-24-19/h3-13,20,25H,1-2H3/t20-/m1/s1

InChI Key

WPWYVNHZRHTNFE-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14756418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.017

Distribution Coefficient, logD

4.017

Water Solubility, LogSw

-4.38

Polar Surface Area

75.249

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

C430-0244 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C430-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0244?
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What is the minimum amount of C430-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0244
  • 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 C430-0244 available by request