3817-0043 Screening compound: ethyl 2-{3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2,3-dihydro-1H-indol-1-yl}acetate

3817-0043 Screening compound: ethyl 2-{3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2,3-dihydro-1H-indol-1-yl}acetate
3817-0043 Screening compound: ethyl 2-{3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2,3-dihydro-1H-indol-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3817-0043
ethyl 2-{3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2,3-dihydro-1H-indol-1-yl}acetate

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

3817-0043

Molecular Formula

C24H25NO5 (C24 H25 NO5)

Compound Name

ethyl 2-{3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2,3-dihydro-1H-indol-1-yl}acetate

IUPAC name

ethyl 2-{3-hydroxy-2-oxo-3-[2-oxo-2-(5678-tetrahydronaphthalen-2-yl)ethyl]-23-dihydro-1H-indol-1-yl}acetate

SMILES

CCOC(CN(C(C1(CC(c2cc(CCCC3)c3cc2)=O)O)=O)c2c1cccc2)=O

InChI

InChI=1S/C24H25NO5/c1-2-30-22(27)15-25-20-10-6-5-9-19(20)24(29,23(25)28)14-21(26)18-12-11-16-7-3-4-8-17(16)13-18/h5-6,9-13,29H,2-4,7-8,14-15H2,1H3/t24-/m0/s1

InChI Key

VVFSYWMRIQEVPN-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02641125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.508

Distribution Coefficient, logD

3.508

Water Solubility, LogSw

-3.75

Polar Surface Area

64.394

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-4.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

3817-0043 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3817-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3817-0043?
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What is the minimum amount of 3817-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3817-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3817-0043
  • 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 3817-0043 available by request