D400-7559 Screening compound: 1-{4-ethoxy-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonyl}-4-methylpiperidine

D400-7559 Screening compound: 1-{4-ethoxy-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonyl}-4-methylpiperidine
D400-7559 Screening compound: 1-{4-ethoxy-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonyl}-4-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-7559
1-{4-ethoxy-3-[3-(propan-2-yl)-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

D400-7559

Molecular Formula

C19H27N3O4S (C19 H27 N3 O4 S)

Compound Name

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

IUPAC name

1-{4-ethoxy-3-[3-(propan-2-yl)-124-oxadiazol-5-yl]benzenesulfonyl}-4-methylpiperidine

SMILES

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

InChI

InChI=1S/C19H27N3O4S/c1-5-25-17-7-6-15(27(23,24)22-10-8-14(4)9-11-22)12-16(17)19-20-18(13(2)3)21-26-19/h6-7,12-14H,5,8-11H2,1-4H3

InChI Key

JQNXFHXCHPWZHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.267

Distribution Coefficient, logD

4.267

Water Solubility, LogSw

-4.25

Polar Surface Area

70.837

Acid Dissociation Constant (pKa)

26.32

Base Dissociation Constant (pKb)

-4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

D400-7559 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 D400-7559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-7559?
Check Price and Availability of D400-7559, 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 D400-7559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-7559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-7559
  • 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 D400-7559 available by request