5066-0154 Screening compound: 3'-ethyl 5'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate

5066-0154 Screening compound: 3'-ethyl 5'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
5066-0154 Screening compound: 3'-ethyl 5'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5066-0154
3'-ethyl 5'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-(prop-2-en-1-yl)-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

5066-0154

Molecular Formula

C23H24N2O8 (C23 H24 N2 O8)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H24N2O8/c1-5-11-25-14-10-8-7-9-13(14)23(22(25)29)17(20(27)31-4)15(12-16(26)30-3)33-19(24)18(23)21(28)32-6-2/h5,7-10H,1,6,11-12,24H2,2-4H3/t23-/m0/s1

InChI Key

IUWUMZZJABLAHL-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03070479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.45

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.924

Distribution Coefficient, logD

1.924

Water Solubility, LogSw

-2.61

Polar Surface Area

108.056

Acid Dissociation Constant (pKa)

13.52

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

5066-0154 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 5066-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5066-0154?
Check Price and Availability of 5066-0154, 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 5066-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5066-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5066-0154
  • 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 5066-0154 available by request