L453-0109 Screening compound: 4-(3-{2-[methyl(phenylcarbamoyl)amino]ethyl}-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

L453-0109 Screening compound: 4-(3-{2-[methyl(phenylcarbamoyl)amino]ethyl}-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
L453-0109 Screening compound: 4-(3-{2-[methyl(phenylcarbamoyl)amino]ethyl}-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L453-0109
4-(3-{2-[methyl(phenylcarbamoyl)amino]ethyl}-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]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

L453-0109

Molecular Formula

C26H33N7O3 (C26 H33 N7 O3)

Compound Name

4-(3-{2-[methyl(phenylcarbamoyl)amino]ethyl}-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

IUPAC name

4-(3-{2-[methyl(phenylcarbamoyl)amino]ethyl}-124-oxadiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

SMILES

CN(CCc1noc(-c(cc2)ccc2C(NCCN2CCN(C)CC2)=O)n1)C(Nc1ccccc1)=O

InChI

InChI=1S/C26H33N7O3/c1-31-16-18-33(19-17-31)15-13-27-24(34)20-8-10-21(11-9-20)25-29-23(30-36-25)12-14-32(2)26(35)28-22-6-4-3-5-7-22/h3-11H,12-19H2,1-2H3,(H,27,34)(H,28,35)

InChI Key

SGEJGWMRHNYPOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27253089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.717

Distribution Coefficient, logD

1.049

Water Solubility, LogSw

-2.10

Polar Surface Area

89.570

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

L453-0109 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with L453-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L453-0109?
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What is the minimum amount of L453-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L453-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L453-0109
  • 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 L453-0109 available by request