3570-0579 Screening compound: ethyl 5-[(1-methoxy-1-oxopropan-2-yl)oxy]-1,2-dimethyl-1H-indole-3-carboxylate

3570-0579 Screening compound: ethyl 5-[(1-methoxy-1-oxopropan-2-yl)oxy]-1,2-dimethyl-1H-indole-3-carboxylate
3570-0579 Screening compound: ethyl 5-[(1-methoxy-1-oxopropan-2-yl)oxy]-1,2-dimethyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3570-0579
ethyl 5-[(1-methoxy-1-oxopropan-2-yl)oxy]-1,2-dimethyl-1H-indole-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

3570-0579

Molecular Formula

C17H21NO5 (C17 H21 NO5)

Compound Name

ethyl 5-[(1-methoxy-1-oxopropan-2-yl)oxy]-1,2-dimethyl-1H-indole-3-carboxylate

IUPAC name

ethyl 5-[(1-methoxy-1-oxopropan-2-yl)oxy]-12-dimethyl-1H-indole-3-carboxylate

SMILES

CCOC(c1c(C)n(C)c(cc2)c1cc2OC(C)C(OC)=O)=O

InChI

InChI=1S/C17H21NO5/c1-6-22-17(20)15-10(2)18(4)14-8-7-12(9-13(14)15)23-11(3)16(19)21-5/h7-9,11H,6H2,1-5H3

InChI Key

XRVSJLSOULINGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03043553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.543

Distribution Coefficient, logD

2.543

Water Solubility, LogSw

-2.72

Polar Surface Area

51.237

Acid Dissociation Constant (pKa)

21.53

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

3570-0579 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS Annotated Library (688 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3570-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3570-0579?
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What is the minimum amount of 3570-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3570-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3570-0579
  • 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 3570-0579 available by request