5587-0248 Screening compound: 3'-tert-butyl 5'-ethyl 6'-amino-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate

5587-0248 Screening compound: 3'-tert-butyl 5'-ethyl 6'-amino-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
5587-0248 Screening compound: 3'-tert-butyl 5'-ethyl 6'-amino-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5587-0248
3'-tert-butyl 5'-ethyl 6'-amino-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-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

5587-0248

Molecular Formula

C24H28N2O8 (C24 H28 N2 O8)

Compound Name

3'-tert-butyl 5'-ethyl 6'-amino-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate

IUPAC name

3'-tert-butyl 5'-ethyl 6'-amino-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-12-dihydrospiro[indole-34'-pyran]-3'5'-dicarboxylate

SMILES

CCOC(C(C1(c(cccc2)c2N2CC(OC)=O)C2=O)=C(N)OC(C)=C1C(OC(C)(C)C)=O)=O

InChI

InChI=1S/C24H28N2O8/c1-7-32-20(28)18-19(25)33-13(2)17(21(29)34-23(3,4)5)24(18)14-10-8-9-11-15(14)26(22(24)30)12-16(27)31-6/h8-11H,7,12,25H2,1-6H3/t24-/m0/s1

InChI Key

SLCJVPIYPBYTLE-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14710656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.684

Distribution Coefficient, logD

2.684

Water Solubility, LogSw

-3.20

Polar Surface Area

106.572

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

5587-0248 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 5587-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5587-0248?
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What is the minimum amount of 5587-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5587-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5587-0248
  • 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 5587-0248 available by request