SA41-0198 Screening compound: {4-[(3,5-dimethyl-4-isoxazolyl)methoxy]phenyl}[7-(methoxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl]methanone

SA41-0198 Screening compound: {4-[(3,5-dimethyl-4-isoxazolyl)methoxy]phenyl}[7-(methoxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl]methanone
SA41-0198 Screening compound: {4-[(3,5-dimethyl-4-isoxazolyl)methoxy]phenyl}[7-(methoxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA41-0198
{4-[(3,5-dimethyl-4-isoxazolyl)methoxy]phenyl}[7-(methoxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl]methanone

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

SA41-0198

Molecular Formula

C22H29N3O4 (C22 H29 N3 O4)

Compound Name

{4-[(3,5-dimethyl-4-isoxazolyl)methoxy]phenyl}[7-(methoxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl]methanone

IUPAC name

2-{4-[(35-dimethyl-12-oxazol-4-yl)methoxy]benzoyl}-7-(methoxymethyl)-6-methyl-26-diazaspiro[3.4]octane

SMILES

Cc1noc(C)c1COc(cc1)ccc1C(N(C1)CC11CN(C)C(COC)C1)=O

InChI

InChI=1S/C22H29N3O4/c1-15-20(16(2)29-23-15)11-28-19-7-5-17(6-8-19)21(26)25-13-22(14-25)9-18(10-27-4)24(3)12-22/h5-8,18H,9-14H2,1-4H3/t18-/m0/s1

InChI Key

DRPPZSPHEFUUON-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32236617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.488

Distribution Coefficient, logD

-2.167

Water Solubility, LogSw

-1.94

Polar Surface Area

58.333

Acid Dissociation Constant (pKa)

25.37

Base Dissociation Constant (pKb)

11.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

SA41-0198 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA41-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA41-0198?
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What is the minimum amount of SA41-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA41-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA41-0198
  • 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 SA41-0198 available by request