SA93-0964 Screening compound: N1'-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyethyl)-[1,4'-bipiperidine]-1',3-dicarboxamide

SA93-0964 Screening compound: N1'-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyethyl)-[1,4'-bipiperidine]-1',3-dicarboxamide
SA93-0964 Screening compound: N1'-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyethyl)-[1,4'-bipiperidine]-1',3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA93-0964
N1'-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyethyl)-[1,4'-bipiperidine]-1',3-dicarboxamide

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

SA93-0964

Molecular Formula

C23H34N4O5 (C23 H34 N4 O5)

Compound Name

N1'-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyethyl)-[1,4'-bipiperidine]-1',3-dicarboxamide

IUPAC name

N1'-(23-dihydro-14-benzodioxin-6-yl)-3-(2-methoxyethyl)-[14'-bipiperidine]-1'3-dicarboxamide

SMILES

COCCC(CCC1)(CN1C(CC1)CCN1C(Nc(cc1)cc2c1OCCO2)=O)C(N)=O

InChI

InChI=1S/C23H34N4O5/c1-30-12-8-23(21(24)28)7-2-9-27(16-23)18-5-10-26(11-6-18)22(29)25-17-3-4-19-20(15-17)32-14-13-31-19/h3-4,15,18H,2,5-14,16H2,1H3,(H2,24,28)(H,25,29)/t23-/m1/s1

InChI Key

BODFKSYUZMVCSE-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD32244460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.202

Distribution Coefficient, logD

-2.302

Water Solubility, LogSw

-2.04

Polar Surface Area

86.959

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.22

SA93-0964 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA93-0964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA93-0964?
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What is the minimum amount of SA93-0964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA93-0964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA93-0964
  • 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 SA93-0964 available by request