5066-0277 Screening compound: 3'-ethyl 5'-(2-methoxyethyl) 2'-amino-5-bromo-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate

5066-0277 Screening compound: 3'-ethyl 5'-(2-methoxyethyl) 2'-amino-5-bromo-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
5066-0277 Screening compound: 3'-ethyl 5'-(2-methoxyethyl) 2'-amino-5-bromo-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5066-0277
3'-ethyl 5'-(2-methoxyethyl) 2'-amino-5-bromo-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

5066-0277

Molecular Formula

C20H21BrN2O7 (C20 H21 BrN2 O7)

Compound Name

3'-ethyl 5'-(2-methoxyethyl) 2'-amino-5-bromo-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate

IUPAC name

3'-ethyl 5'-(2-methoxyethyl) 2'-amino-5-bromo-6'-methyl-2-oxo-12-dihydrospiro[indole-34'-pyran]-3'5'-dicarboxylate

SMILES

CCOC(C(C1(c(cc(cc2)Br)c2N2)C2=O)=C(N)OC(C)=C1C(OCCOC)=O)=O

InChI

InChI=1S/C20H21BrN2O7/c1-4-28-18(25)15-16(22)30-10(2)14(17(24)29-8-7-27-3)20(15)12-9-11(21)5-6-13(12)23-19(20)26/h5-6,9H,4,7-8,22H2,1-3H3,(H,23,26)/t20-/m0/s1

InChI Key

FZWWVEYITRWSRU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01869092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.3

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.284

Distribution Coefficient, logD

2.283

Water Solubility, LogSw

-3.05

Polar Surface Area

105.024

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 5066-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5066-0277?
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What is the minimum amount of 5066-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5066-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5066-0277
  • 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 5066-0277 available by request