D400-7556 Screening compound: 4-{4-ethoxy-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonyl}morpholine

D400-7556 Screening compound: 4-{4-ethoxy-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonyl}morpholine
D400-7556 Screening compound: 4-{4-ethoxy-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-7556
4-{4-ethoxy-3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonyl}morpholine

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

D400-7556

Molecular Formula

C17H23N3O5S (C17 H23 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(S(N1CCOCC1)(=O)=O)c1)c1-c1nc(C(C)C)no1

InChI

InChI=1S/C17H23N3O5S/c1-4-24-15-6-5-13(26(21,22)20-7-9-23-10-8-20)11-14(15)17-18-16(12(2)3)19-25-17/h5-6,11-12H,4,7-10H2,1-3H3

InChI Key

AIMWNJCQVHSNSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.803

Distribution Coefficient, logD

2.803

Water Solubility, LogSw

-3.34

Polar Surface Area

78.745

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

-4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

D400-7556 in Drug Discovery

Included in Screening Libraries

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

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 D400-7556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-7556?
Check Price and Availability of D400-7556, 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 D400-7556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-7556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-7556
  • 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 D400-7556 available by request