SA46-0371 Screening compound: 2-(1-methyl-1H-pyrrole-2-carbonyl)-7-(4-methylpiperazin-1-yl)-5-oxa-2-azaspiro[3.4]octane

SA46-0371 Screening compound: 2-(1-methyl-1H-pyrrole-2-carbonyl)-7-(4-methylpiperazin-1-yl)-5-oxa-2-azaspiro[3.4]octane
SA46-0371 Screening compound: 2-(1-methyl-1H-pyrrole-2-carbonyl)-7-(4-methylpiperazin-1-yl)-5-oxa-2-azaspiro[3.4]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA46-0371
2-(1-methyl-1H-pyrrole-2-carbonyl)-7-(4-methylpiperazin-1-yl)-5-oxa-2-azaspiro[3.4]octane

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

SA46-0371

Molecular Formula

C17H26N4O2 (C17 H26 N4 O2)

Compound Name

2-(1-methyl-1H-pyrrole-2-carbonyl)-7-(4-methylpiperazin-1-yl)-5-oxa-2-azaspiro[3.4]octane

IUPAC name

2-(1-methyl-1H-pyrrole-2-carbonyl)-7-(4-methylpiperazin-1-yl)-5-oxa-2-azaspiro[3.4]octane

SMILES

Cn1c(C(N(C2)CC2(C2)OCC2N2CCN(C)CC2)=O)ccc1

InChI

InChI=1S/C17H26N4O2/c1-18-6-8-20(9-7-18)14-10-17(23-11-14)12-21(13-17)16(22)15-4-3-5-19(15)2/h3-5,14H,6-13H2,1-2H3/t14-/m1/s1

InChI Key

GWZBHAUYNTVFGQ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32237041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.912

Distribution Coefficient, logD

0.273

Water Solubility, LogSw

-1.56

Polar Surface Area

33.537

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.59

SA46-0371 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA46-0371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA46-0371?
Check Price and Availability of SA46-0371, 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 SA46-0371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA46-0371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA46-0371
  • 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 SA46-0371 available by request