SA41-0088 Screening compound: [7-(hydroxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl][1-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-1H-pyrrol-3-yl]methanone

SA41-0088 Screening compound: [7-(hydroxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl][1-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-1H-pyrrol-3-yl]methanone
SA41-0088 Screening compound: [7-(hydroxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl][1-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-1H-pyrrol-3-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA41-0088
[7-(hydroxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl][1-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-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

SA41-0088

Molecular Formula

C24H33N3O3 (C24 H33 N3 O3)

Compound Name

[7-(hydroxymethyl)-6-methyl-2,6-diazaspiro[3.4]oct-2-yl][1-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-1H-pyrrol-3-yl]methanone

IUPAC name

{2-[1-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-1H-pyrrole-3-carbonyl]-6-methyl-26-diazaspiro[3.4]octan-7-yl}methanol

SMILES

Cc(n(CCOC)c(-c1ccc(C)cc1)c1)c1C(N(C1)CC11CN(C)C(CO)C1)=O

InChI

InChI=1S/C24H33N3O3/c1-17-5-7-19(8-6-17)22-11-21(18(2)27(22)9-10-30-4)23(29)26-15-24(16-26)12-20(13-28)25(3)14-24/h5-8,11,20,28H,9-10,12-16H2,1-4H3/t20-/m0/s1

InChI Key

SKZMRBIQMOFTOI-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD32236340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.359

Distribution Coefficient, logD

-1.343

Water Solubility, LogSw

-2.98

Polar Surface Area

47.031

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

11.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.17

SA41-0088 in Drug Discovery

Included in Screening Libraries

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 SA41-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA41-0088?
Check Price and Availability of SA41-0088, 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 SA41-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA41-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA41-0088
  • 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 SA41-0088 available by request