5587-0205 Screening compound: ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1-[(phenylcarbamoyl)methyl]-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate

5587-0205 Screening compound: ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1-[(phenylcarbamoyl)methyl]-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
5587-0205 Screening compound: ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1-[(phenylcarbamoyl)methyl]-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5587-0205
ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1-[(phenylcarbamoyl)methyl]-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate

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

5587-0205

Molecular Formula

C28H26N4O7 (C28 H26 N4 O7)

Compound Name

ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1-[(phenylcarbamoyl)methyl]-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate

IUPAC name

ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1-[(phenylcarbamoyl)methyl]-12-dihydrospiro[indole-34'-pyran]-3'-carboxylate

SMILES

CCOC(CC(OC(N)=C(C1(c(cccc2)c2N2CC(Nc3ccccc3)=O)C2=O)C#N)=C1C(OCC)=O)=O

InChI

InChI=1S/C28H26N4O7/c1-3-37-23(34)14-21-24(26(35)38-4-2)28(19(15-29)25(30)39-21)18-12-8-9-13-20(18)32(27(28)36)16-22(33)31-17-10-6-5-7-11-17/h5-13H,3-4,14,16,30H2,1-2H3,(H,31,33)/t28-/m1/s1

InChI Key

FUDYGJLXQUZRCT-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD14710655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.646

Distribution Coefficient, logD

2.646

Water Solubility, LogSw

-3.44

Polar Surface Area

126.417

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

5587-0205 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 5587-0205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5587-0205?
Check Price and Availability of 5587-0205, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5587-0205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5587-0205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5587-0205
  • 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 5587-0205 available by request