D400-6972 Screening compound: 1-[4-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl]-4-methylpiperidine

D400-6972 Screening compound: 1-[4-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl]-4-methylpiperidine
D400-6972 Screening compound: 1-[4-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl]-4-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-6972
1-[4-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl]-4-methylpiperidine

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

D400-6972

Molecular Formula

C17H23N3O4S (C17 H23 N3 O4 S)

Compound Name

1-[4-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl]-4-methylpiperidine

IUPAC name

1-[4-ethoxy-3-(3-methyl-124-oxadiazol-5-yl)benzenesulfonyl]-4-methylpiperidine

SMILES

CCOc(ccc(S(N1CCC(C)CC1)(=O)=O)c1)c1-c1nc(C)no1

InChI

InChI=1S/C17H23N3O4S/c1-4-23-16-6-5-14(11-15(16)17-18-13(3)19-24-17)25(21,22)20-9-7-12(2)8-10-20/h5-6,11-12H,4,7-10H2,1-3H3

InChI Key

NHOKQMXJJOMRCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.047

Distribution Coefficient, logD

3.047

Water Solubility, LogSw

-3.45

Polar Surface Area

70.450

Acid Dissociation Constant (pKa)

26.32

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

D400-6972 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D400-6972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-6972?
Check Price and Availability of D400-6972, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D400-6972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-6972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-6972
  • 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 D400-6972 available by request