SA41-0935 Screening compound: {7-[(benzyloxy)methyl]-6-methyl-2,6-diazaspiro[3.4]oct-2-yl}[4-(methoxymethyl)-5-methyl-3-isoxazolyl]methanone

SA41-0935 Screening compound: {7-[(benzyloxy)methyl]-6-methyl-2,6-diazaspiro[3.4]oct-2-yl}[4-(methoxymethyl)-5-methyl-3-isoxazolyl]methanone
SA41-0935 Screening compound: {7-[(benzyloxy)methyl]-6-methyl-2,6-diazaspiro[3.4]oct-2-yl}[4-(methoxymethyl)-5-methyl-3-isoxazolyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA41-0935
{7-[(benzyloxy)methyl]-6-methyl-2,6-diazaspiro[3.4]oct-2-yl}[4-(methoxymethyl)-5-methyl-3-isoxazolyl]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

SA41-0935

Molecular Formula

C22H29N3O4 (C22 H29 N3 O4)

Compound Name

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

IUPAC name

7-[(benzyloxy)methyl]-2-[4-(methoxymethyl)-5-methyl-12-oxazole-3-carbonyl]-6-methyl-26-diazaspiro[3.4]octane

SMILES

Cc1c(COC)c(C(N(C2)CC22CN(C)C(COCc3ccccc3)C2)=O)no1

InChI

InChI=1S/C22H29N3O4/c1-16-19(12-27-3)20(23-29-16)21(26)25-14-22(15-25)9-18(24(2)13-22)11-28-10-17-7-5-4-6-8-17/h4-8,18H,9-15H2,1-3H3/t18-/m0/s1

InChI Key

NHRRDWNLXYIWFP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32237507

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

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.677

Distribution Coefficient, logD

-1.905

Water Solubility, LogSw

-1.76

Polar Surface Area

59.462

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

10.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

SA41-0935 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 SA41-0935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA41-0935?
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What is the minimum amount of SA41-0935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA41-0935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA41-0935
  • 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 SA41-0935 available by request