5587-0167 Screening compound: 3'-butyl 5'-ethyl 2'-amino-6'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate

5587-0167 Screening compound: 3'-butyl 5'-ethyl 2'-amino-6'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
5587-0167 Screening compound: 3'-butyl 5'-ethyl 2'-amino-6'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5587-0167
3'-butyl 5'-ethyl 2'-amino-6'-(2-ethoxy-2-oxoethyl)-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

5587-0167

Molecular Formula

C24H28N2O8 (C24 H28 N2 O8)

Compound Name

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

IUPAC name

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

SMILES

CCCCOC(C(C1(c(cccc2)c2N2)C2=O)=C(N)OC(CC(OCC)=O)=C1C(OCC)=O)=O

InChI

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

InChI Key

BUBHILQTQWUMGP-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD08734410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.293

Distribution Coefficient, logD

3.293

Water Solubility, LogSw

-3.83

Polar Surface Area

117.035

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

5587-0167 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 5587-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5587-0167?
Check Price and Availability of 5587-0167, 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 5587-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5587-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5587-0167
  • 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 5587-0167 available by request