8017-5593 Screening compound: 3-[(benzenesulfonyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide

8017-5593 Screening compound: 3-[(benzenesulfonyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide
8017-5593 Screening compound: 3-[(benzenesulfonyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5593
3-[(benzenesulfonyl)methyl]-N-[2-(3,4-dimethoxyphenyl)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

8017-5593

Molecular Formula

C20H21N3O6S (C20 H21 N3 O6 S)

Compound Name

3-[(benzenesulfonyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-[(benzenesulfonyl)methyl]-N-[2-(34-dimethoxyphenyl)ethyl]-124-oxadiazole-5-carboxamide

SMILES

COc(ccc(CCNC(c1nc(CS(c2ccccc2)(=O)=O)no1)=O)c1)c1OC

InChI

InChI=1S/C20H21N3O6S/c1-27-16-9-8-14(12-17(16)28-2)10-11-21-19(24)20-22-18(23-29-20)13-30(25,26)15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)

InChI Key

OOJVWHDPCYGICQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.201

Distribution Coefficient, logD

1.201

Water Solubility, LogSw

-2.50

Polar Surface Area

101.458

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8017-5593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5593?
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What is the minimum amount of 8017-5593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5593
  • 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 8017-5593 available by request