C202-1469 Screening compound: 3'-(2,4-dimethoxyphenyl)-1,5'-bis(4-methylphenyl)-2'-pentyl-hexahydro-2'H-spiro[pyrrolidine-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',5,6'-tetrone

C202-1469 Screening compound: 3'-(2,4-dimethoxyphenyl)-1,5'-bis(4-methylphenyl)-2'-pentyl-hexahydro-2'H-spiro[pyrrolidine-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',5,6'-tetrone
C202-1469 Screening compound: 3'-(2,4-dimethoxyphenyl)-1,5'-bis(4-methylphenyl)-2'-pentyl-hexahydro-2'H-spiro[pyrrolidine-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',5,6'-tetrone alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-1469
3'-(2,4-dimethoxyphenyl)-1,5'-bis(4-methylphenyl)-2'-pentyl-hexahydro-2'H-spiro[pyrrolidine-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',5,6'-tetrone

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

C202-1469

Molecular Formula

C36H39N3O6 (C36 H39 N3 O6)

Compound Name

3'-(2,4-dimethoxyphenyl)-1,5'-bis(4-methylphenyl)-2'-pentyl-hexahydro-2'H-spiro[pyrrolidine-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',5,6'-tetrone

IUPAC name

3'-(24-dimethoxyphenyl)-15'-bis(4-methylphenyl)-2'-pentyl-hexahydro-2'H-spiro[pyrrolidine-31'-pyrrolo[34-c]pyrrole]-24'56'-tetrone

SMILES

CCCCCN(C(C(C1C(N2c3ccc(C)cc3)=O)C2=O)c(ccc(OC)c2)c2OC)C1(CC(N1c2ccc(C)cc2)=O)C1=O

InChI

InChI=1S/C36H39N3O6/c1-6-7-8-19-37-32(27-18-17-26(44-4)20-28(27)45-5)30-31(34(42)39(33(30)41)25-15-11-23(3)12-16-25)36(37)21-29(40)38(35(36)43)24-13-9-22(2)10-14-24/h9-18,20,30-32H,6-8,19,21H2,1-5H3

InChI Key

NCFFNJNNMLKHOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14730457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

609.72

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.193

Distribution Coefficient, logD

5.193

Water Solubility, LogSw

-4.94

Polar Surface Area

75.681

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

38.90

C202-1469 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C202-1469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1469?
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What is the minimum amount of C202-1469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1469
  • 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 C202-1469 available by request