L288-0479 Screening compound: 3,4-dihydro-2(1H)-isoquinolinyl[3-(3,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanone

L288-0479 Screening compound: 3,4-dihydro-2(1H)-isoquinolinyl[3-(3,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanone
L288-0479 Screening compound: 3,4-dihydro-2(1H)-isoquinolinyl[3-(3,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound L288-0479
3,4-dihydro-2(1H)-isoquinolinyl[3-(3,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanone

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

L288-0479

Molecular Formula

C22H19N3O3 (C22 H19 N3 O3)

Compound Name

3,4-dihydro-2(1H)-isoquinolinyl[3-(3,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanone

IUPAC name

2-[3-(37-dimethyl-1-benzofuran-2-yl)-124-oxadiazole-5-carbonyl]-1234-tetrahydroisoquinoline

SMILES

Cc1c(-c2noc(C(N(CC3)Cc4c3cccc4)=O)n2)oc2c1cccc2C

InChI

InChI=1S/C22H19N3O3/c1-13-6-5-9-17-14(2)19(27-18(13)17)20-23-21(28-24-20)22(26)25-11-10-15-7-3-4-8-16(15)12-25/h3-9H,10-12H2,1-2H3

InChI Key

ARTFNBWHMSZJIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27241078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.658

Distribution Coefficient, logD

4.658

Water Solubility, LogSw

-4.41

Polar Surface Area

56.985

Acid Dissociation Constant (pKa)

25.56

Base Dissociation Constant (pKb)

-4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

L288-0479 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L288-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L288-0479?
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What is the minimum amount of L288-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L288-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L288-0479
  • 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 L288-0479 available by request