L498-1254 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide

L498-1254 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
L498-1254 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L498-1254
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide

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

L498-1254

Molecular Formula

C23H16FN3O4 (C23 H16 FN3 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-[3-(3-fluorophenyl)-124-oxadiazol-5-yl]benzamide

SMILES

O=C(c(cc1)ccc1-c1nc(-c2cccc(F)c2)no1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C23H16FN3O4/c24-18-3-1-2-17(11-18)21-26-23(31-27-21)16-7-5-15(6-8-16)22(28)25-12-14-4-9-19-20(10-14)30-13-29-19/h1-11H,12-13H2,(H,25,28)

InChI Key

HAVOSHGBEBELGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27458228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.743

Distribution Coefficient, logD

4.743

Water Solubility, LogSw

-4.90

Polar Surface Area

73.173

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

L498-1254 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with L498-1254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L498-1254?
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What is the minimum amount of L498-1254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L498-1254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L498-1254
  • 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 L498-1254 available by request