5066-0298 Screening compound: 3',5'-diethyl 2'-amino-6'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate

5066-0298 Screening compound: 3',5'-diethyl 2'-amino-6'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
5066-0298 Screening compound: 3',5'-diethyl 2'-amino-6'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5066-0298
3',5'-diethyl 2'-amino-6'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-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

5066-0298

Molecular Formula

C25H28N2O10 (C25 H28 N2 O10)

Compound Name

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

IUPAC name

3'5'-diethyl 2'-amino-6'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxo-12-dihydrospiro[indole-34'-pyran]-3'5'-dicarboxylate

SMILES

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

InChI

InChI=1S/C25H28N2O10/c1-5-34-17(28)12-16-19(22(30)35-6-2)25(20(21(26)37-16)23(31)36-7-3)14-10-8-9-11-15(14)27(24(25)32)13-18(29)33-4/h8-11H,5-7,12-13,26H2,1-4H3/t25-/m0/s1

InChI Key

MLBVAUFBPUADGS-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14757546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.5

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.962

Distribution Coefficient, logD

1.962

Water Solubility, LogSw

-2.78

Polar Surface Area

127.816

Acid Dissociation Constant (pKa)

13.52

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 5066-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5066-0298?
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What is the minimum amount of 5066-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5066-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5066-0298
  • 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 5066-0298 available by request