5587-0277 Screening compound: 3'-ethyl 5'-prop-2-en-1-yl 2'-amino-1-(carbamoylmethyl)-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate

5587-0277 Screening compound: 3'-ethyl 5'-prop-2-en-1-yl 2'-amino-1-(carbamoylmethyl)-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
5587-0277 Screening compound: 3'-ethyl 5'-prop-2-en-1-yl 2'-amino-1-(carbamoylmethyl)-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5587-0277
3'-ethyl 5'-prop-2-en-1-yl 2'-amino-1-(carbamoylmethyl)-6'-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

5587-0277

Molecular Formula

C22H23N3O7 (C22 H23 N3 O7)

Compound Name

3'-ethyl 5'-prop-2-en-1-yl 2'-amino-1-(carbamoylmethyl)-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate

IUPAC name

3'-ethyl 5'-prop-2-en-1-yl 2'-amino-1-(carbamoylmethyl)-6'-methyl-2-oxo-12-dihydrospiro[indole-34'-pyran]-3'5'-dicarboxylate

SMILES

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

InChI

InChI=1S/C22H23N3O7/c1-4-10-31-19(27)16-12(3)32-18(24)17(20(28)30-5-2)22(16)13-8-6-7-9-14(13)25(21(22)29)11-15(23)26/h4,6-9H,1,5,10-11,24H2,2-3H3,(H2,23,26)/t22-/m0/s1

InChI Key

ZXDXIRCEHKWLHJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14757559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.084

Distribution Coefficient, logD

1.084

Water Solubility, LogSw

-2.37

Polar Surface Area

120.566

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

5587-0277 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 5587-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5587-0277?
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What is the minimum amount of 5587-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5587-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5587-0277
  • 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 5587-0277 available by request