D400-6116 Screening compound: 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[(furan-2-yl)methyl]-4-methoxybenzene-1-sulfonamide

D400-6116 Screening compound: 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[(furan-2-yl)methyl]-4-methoxybenzene-1-sulfonamide
D400-6116 Screening compound: 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[(furan-2-yl)methyl]-4-methoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-6116
3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[(furan-2-yl)methyl]-4-methoxybenzene-1-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

D400-6116

Molecular Formula

C16H17N3O5S (C16 H17 N3 O5 S)

Compound Name

3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[(furan-2-yl)methyl]-4-methoxybenzene-1-sulfonamide

IUPAC name

3-(5-ethyl-124-oxadiazol-3-yl)-N-[(furan-2-yl)methyl]-4-methoxybenzene-1-sulfonamide

SMILES

CCc1nc(-c(cc(cc2)S(NCc3ccco3)(=O)=O)c2OC)no1

InChI

InChI=1S/C16H17N3O5S/c1-3-15-18-16(19-24-15)13-9-12(6-7-14(13)22-2)25(20,21)17-10-11-5-4-8-23-11/h4-9,17H,3,10H2,1-2H3

InChI Key

SWGBMPUNDPALHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.055

Distribution Coefficient, logD

3.055

Water Solubility, LogSw

-3.51

Polar Surface Area

88.719

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

-4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D400-6116 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 D400-6116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-6116?
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What is the minimum amount of D400-6116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-6116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-6116
  • 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 D400-6116 available by request