L080-0410 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-{[(5-chloro-2-methylphenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazole-5-carboxamide

L080-0410 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-{[(5-chloro-2-methylphenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazole-5-carboxamide
L080-0410 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-{[(5-chloro-2-methylphenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L080-0410
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-{[(5-chloro-2-methylphenyl)carbamoyl](methyl)amino}ethyl)-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

L080-0410

Molecular Formula

C22H22ClN5O5 (C22 H22 ClN5 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-{[(5-chloro-2-methylphenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazole-5-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(2-{[(5-chloro-2-methylphenyl)carbamoyl](methyl)amino}ethyl)-124-oxadiazole-5-carboxamide

SMILES

Cc(ccc(Cl)c1)c1NC(N(C)CCc1noc(C(NCc(cc2)cc3c2OCO3)=O)n1)=O

InChI

InChI=1S/C22H22ClN5O5/c1-13-3-5-15(23)10-16(13)25-22(30)28(2)8-7-19-26-21(33-27-19)20(29)24-11-14-4-6-17-18(9-14)32-12-31-17/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,24,29)(H,25,30)

InChI Key

HYYWPBYZEOOBPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.238

Distribution Coefficient, logD

3.238

Water Solubility, LogSw

-3.63

Polar Surface Area

98.959

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L080-0410 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 L080-0410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L080-0410?
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What is the minimum amount of L080-0410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L080-0410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L080-0410
  • 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 L080-0410 available by request