SA41-0840 Screening compound: {7-[(benzyloxy)methyl]-6-methyl-2,6-diazaspiro[3.4]oct-2-yl}(2,5-dimethyl-3-furyl)methanone

SA41-0840 Screening compound: {7-[(benzyloxy)methyl]-6-methyl-2,6-diazaspiro[3.4]oct-2-yl}(2,5-dimethyl-3-furyl)methanone
SA41-0840 Screening compound: {7-[(benzyloxy)methyl]-6-methyl-2,6-diazaspiro[3.4]oct-2-yl}(2,5-dimethyl-3-furyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA41-0840
{7-[(benzyloxy)methyl]-6-methyl-2,6-diazaspiro[3.4]oct-2-yl}(2,5-dimethyl-3-furyl)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

SA41-0840

Molecular Formula

C22H28N2O3 (C22 H28 N2 O3)

Compound Name

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

IUPAC name

7-[(benzyloxy)methyl]-2-(25-dimethylfuran-3-carbonyl)-6-methyl-26-diazaspiro[3.4]octane

SMILES

Cc1cc(C(N(C2)CC22CN(C)C(COCc3ccccc3)C2)=O)c(C)o1

InChI

InChI=1S/C22H28N2O3/c1-16-9-20(17(2)27-16)21(25)24-14-22(15-24)10-19(23(3)13-22)12-26-11-18-7-5-4-6-8-18/h4-9,19H,10-15H2,1-3H3/t19-/m0/s1

InChI Key

UYFWVDUITFTYTO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32237000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.612

Distribution Coefficient, logD

-0.970

Water Solubility, LogSw

-3.16

Polar Surface Area

36.553

Acid Dissociation Constant (pKa)

27.42

Base Dissociation Constant (pKb)

10.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SA41-0840 in Drug Discovery

Included in Screening Libraries

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 SA41-0840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA41-0840?
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What is the minimum amount of SA41-0840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA41-0840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA41-0840
  • 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 SA41-0840 available by request