L824-0861 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide

L824-0861 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
L824-0861 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L824-0861
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide

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

L824-0861

Molecular Formula

C20H20N4O7S2 (C20 H20 N4 O7 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-methyl-5-[5-(morpholine-4-carbonyl)-124-oxadiazol-3-yl]thiophene-3-sulfonamide

SMILES

Cc(sc(-c1noc(C(N2CCOCC2)=O)n1)c1)c1S(NCc(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C20H20N4O7S2/c1-12-17(33(26,27)21-10-13-2-3-14-15(8-13)30-11-29-14)9-16(32-12)18-22-19(31-23-18)20(25)24-4-6-28-7-5-24/h2-3,8-9,21H,4-7,10-11H2,1H3

InChI Key

YQPIKEOOVOMNHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27477917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.53

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.387

Distribution Coefficient, logD

2.387

Water Solubility, LogSw

-2.96

Polar Surface Area

116.365

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

-4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

L824-0861 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with L824-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L824-0861?
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What is the minimum amount of L824-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L824-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L824-0861
  • 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 L824-0861 available by request