L107-0427 Screening compound: 2-{3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1,2-dihydropyridin-1-yl}-N-[(3-methoxyphenyl)methyl]acetamide

L107-0427 Screening compound: 2-{3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1,2-dihydropyridin-1-yl}-N-[(3-methoxyphenyl)methyl]acetamide
L107-0427 Screening compound: 2-{3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1,2-dihydropyridin-1-yl}-N-[(3-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L107-0427
2-{3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1,2-dihydropyridin-1-yl}-N-[(3-methoxyphenyl)methyl]acetamide

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

L107-0427

Molecular Formula

C23H19BrN4O4 (C23 H19 BrN4 O4)

Compound Name

2-{3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1,2-dihydropyridin-1-yl}-N-[(3-methoxyphenyl)methyl]acetamide

IUPAC name

2-{3-[3-(4-bromophenyl)-124-oxadiazol-5-yl]-2-oxo-12-dihydropyridin-1-yl}-N-[(3-methoxyphenyl)methyl]acetamide

SMILES

COc1cccc(CNC(CN(C=CC=C2c3nc(-c(cc4)ccc4Br)no3)C2=O)=O)c1

InChI

InChI=1S/C23H19BrN4O4/c1-31-18-5-2-4-15(12-18)13-25-20(29)14-28-11-3-6-19(23(28)30)22-26-21(27-32-22)16-7-9-17(24)10-8-16/h2-12H,13-14H2,1H3,(H,25,29)

InChI Key

MINHLSWGCAGSGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.063

Distribution Coefficient, logD

4.063

Water Solubility, LogSw

-4.29

Polar Surface Area

79.374

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

L107-0427 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 L107-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L107-0427?
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What is the minimum amount of L107-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L107-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L107-0427
  • 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 L107-0427 available by request