C430-0902 Screening compound: ethyl 2-[1,3-dioxo-4-phenyl-1,6-dihydropyrrolo[3',4':3,4]pyrrolo[2,1-a]isoindol-2(3H)-yl]acetate

C430-0902 Screening compound: ethyl 2-[1,3-dioxo-4-phenyl-1,6-dihydropyrrolo[3',4':3,4]pyrrolo[2,1-a]isoindol-2(3H)-yl]acetate
C430-0902 Screening compound: ethyl 2-[1,3-dioxo-4-phenyl-1,6-dihydropyrrolo[3',4':3,4]pyrrolo[2,1-a]isoindol-2(3H)-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0902
ethyl 2-[1,3-dioxo-4-phenyl-1,6-dihydropyrrolo[3',4':3,4]pyrrolo[2,1-a]isoindol-2(3H)-yl]acetate

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

C430-0902

Molecular Formula

C23H18N2O4 (C23 H18 N2 O4)

Compound Name

ethyl 2-[1,3-dioxo-4-phenyl-1,6-dihydropyrrolo[3',4':3,4]pyrrolo[2,1-a]isoindol-2(3H)-yl]acetate

IUPAC name

ethyl 2-{1214-dioxo-10-phenyl-913-diazatetracyclo[7.6.0.0^{27}.0^{1115}]pentadeca-1(15)24610-pentaen-13-yl}acetate

SMILES

CCOC(CN(C(c1c(-c2c(C3)cccc2)n3c(-c2ccccc2)c11)=O)C1=O)=O

InChI

InChI=1S/C23H18N2O4/c1-2-29-17(26)13-25-22(27)18-19(23(25)28)21-16-11-7-6-10-15(16)12-24(21)20(18)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3

InChI Key

LGMCCXRXVJPWTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.998

Distribution Coefficient, logD

2.998

Water Solubility, LogSw

-3.29

Polar Surface Area

49.633

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C430-0902 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C430-0902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0902?
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What is the minimum amount of C430-0902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0902
  • 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 C430-0902 available by request