8018-2192 Screening compound: 9a-ethoxy-3-(4-ethoxyphenyl)-7-methyl-9H,9aH-[1,2,4]oxadiazolo[4,5-a]indol-9-one

8018-2192 Screening compound: 9a-ethoxy-3-(4-ethoxyphenyl)-7-methyl-9H,9aH-[1,2,4]oxadiazolo[4,5-a]indol-9-one
8018-2192 Screening compound: 9a-ethoxy-3-(4-ethoxyphenyl)-7-methyl-9H,9aH-[1,2,4]oxadiazolo[4,5-a]indol-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2192
9a-ethoxy-3-(4-ethoxyphenyl)-7-methyl-9H,9aH-[1,2,4]oxadiazolo[4,5-a]indol-9-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

8018-2192

Molecular Formula

C20H20N2O4 (C20 H20 N2 O4)

Compound Name

9a-ethoxy-3-(4-ethoxyphenyl)-7-methyl-9H,9aH-[1,2,4]oxadiazolo[4,5-a]indol-9-one

IUPAC name

9a-ethoxy-3-(4-ethoxyphenyl)-7-methyl-9H9aH-[124]oxadiazolo[45-a]indol-9-one

SMILES

CCOC12ON=C(c(cc3)ccc3OCC)N1c(ccc(C)c1)c1C2=O

InChI

InChI=1S/C20H20N2O4/c1-4-24-15-9-7-14(8-10-15)19-21-26-20(25-5-2)18(23)16-12-13(3)6-11-17(16)22(19)20/h6-12H,4-5H2,1-3H3/t20-/m0/s1

InChI Key

YRHZPFQIWZXPRQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD07657392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.069

Distribution Coefficient, logD

4.069

Water Solubility, LogSw

-4.15

Polar Surface Area

55.200

Acid Dissociation Constant (pKa)

26.61

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8018-2192 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-2192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2192?
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What is the minimum amount of 8018-2192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2192
  • 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 8018-2192 available by request