8018-4084 Screening compound: 3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-5-ethyl-3-hydroxy-2,3-dihydro-1H-indol-2-one

8018-4084 Screening compound: 3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-5-ethyl-3-hydroxy-2,3-dihydro-1H-indol-2-one
8018-4084 Screening compound: 3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-5-ethyl-3-hydroxy-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4084
3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-5-ethyl-3-hydroxy-2,3-dihydro-1H-indol-2-one

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

8018-4084

Molecular Formula

C19H17NO5 (C19 H17 NO5)

Compound Name

3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-5-ethyl-3-hydroxy-2,3-dihydro-1H-indol-2-one

IUPAC name

3-[2-(2H-13-benzodioxol-5-yl)-2-oxoethyl]-5-ethyl-3-hydroxy-23-dihydro-1H-indol-2-one

SMILES

CCc(cc1)cc(C2(CC(c(cc3)cc4c3OCO4)=O)O)c1NC2=O

InChI

InChI=1S/C19H17NO5/c1-2-11-3-5-14-13(7-11)19(23,18(22)20-14)9-15(21)12-4-6-16-17(8-12)25-10-24-16/h3-8,23H,2,9-10H2,1H3,(H,20,22)/t19-/m0/s1

InChI Key

DFRYWDWALPOIEF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD07658552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.875

Distribution Coefficient, logD

2.875

Water Solubility, LogSw

-3.41

Polar Surface Area

70.933

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

8018-4084 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-4084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4084?
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What is the minimum amount of 8018-4084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4084
  • 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 8018-4084 available by request