SA41-0188 Screening compound: [7-(methoxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl][5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrol-3-yl]methanone

SA41-0188 Screening compound: [7-(methoxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl][5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrol-3-yl]methanone
SA41-0188 Screening compound: [7-(methoxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl][5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrol-3-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA41-0188
[7-(methoxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl][5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrol-3-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

SA41-0188

Molecular Formula

C23H31N3O3 (C23 H31 N3 O3)

Compound Name

[7-(methoxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl][5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrol-3-yl]methanone

IUPAC name

7-(methoxymethyl)-2-[5-(4-methoxyphenyl)-12-dimethyl-1H-pyrrole-3-carbonyl]-6-methyl-26-diazaspiro[3.4]octane

SMILES

Cc(n(C)c(-c(cc1)ccc1OC)c1)c1C(N(C1)CC11CN(C)C(COC)C1)=O

InChI

InChI=1S/C23H31N3O3/c1-16-20(10-21(25(16)3)17-6-8-19(29-5)9-7-17)22(27)26-14-23(15-26)11-18(12-28-4)24(2)13-23/h6-10,18H,11-15H2,1-5H3/t18-/m0/s1

InChI Key

OUVONUUEBXNHEX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32236530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.307

Distribution Coefficient, logD

-1.348

Water Solubility, LogSw

-3.04

Polar Surface Area

38.372

Acid Dissociation Constant (pKa)

27.42

Base Dissociation Constant (pKb)

11.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.17

SA41-0188 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA41-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA41-0188?
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What is the minimum amount of SA41-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA41-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA41-0188
  • 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 SA41-0188 available by request