L288-0412 Screening compound: 3-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(pyridin-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

L288-0412 Screening compound: 3-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(pyridin-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
L288-0412 Screening compound: 3-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(pyridin-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L288-0412
3-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(pyridin-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

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

L288-0412

Molecular Formula

C19H16N4O3 (C19 H16 N4 O3)

Compound Name

3-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(pyridin-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-(37-dimethyl-1-benzofuran-2-yl)-N-[(pyridin-3-yl)methyl]-124-oxadiazole-5-carboxamide

SMILES

Cc1c(-c2noc(C(NCc3cnccc3)=O)n2)oc2c1cccc2C

InChI

InChI=1S/C19H16N4O3/c1-11-5-3-7-14-12(2)16(25-15(11)14)17-22-19(26-23-17)18(24)21-10-13-6-4-8-20-9-13/h3-9H,10H2,1-2H3,(H,21,24)

InChI Key

KKIIYUACFZDEAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27241058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.974

Distribution Coefficient, logD

2.974

Water Solubility, LogSw

-2.80

Polar Surface Area

74.606

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

L288-0412 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 L288-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L288-0412?
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What is the minimum amount of L288-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L288-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L288-0412
  • 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 L288-0412 available by request