SA93-0868 Screening compound: 1'-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-3-(2-methoxyethyl)-[1,4'-bipiperidine]-3-carboxamide

SA93-0868 Screening compound: 1'-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-3-(2-methoxyethyl)-[1,4'-bipiperidine]-3-carboxamide
SA93-0868 Screening compound: 1'-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-3-(2-methoxyethyl)-[1,4'-bipiperidine]-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA93-0868
1'-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-3-(2-methoxyethyl)-[1,4'-bipiperidine]-3-carboxamide

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

SA93-0868

Molecular Formula

C19H33N5O4S (C19 H33 N5 O4 S)

Compound Name

1'-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-3-(2-methoxyethyl)-[1,4'-bipiperidine]-3-carboxamide

IUPAC name

1'-[(12-dimethyl-1H-imidazol-4-yl)sulfonyl]-3-(2-methoxyethyl)-[14'-bipiperidine]-3-carboxamide

SMILES

Cc1nc(S(N(CC2)CCC2N(CCC2)CC2(CCOC)C(N)=O)(=O)=O)cn1C

InChI

InChI=1S/C19H33N5O4S/c1-15-21-17(13-22(15)2)29(26,27)24-10-5-16(6-11-24)23-9-4-7-19(14-23,18(20)25)8-12-28-3/h13,16H,4-12,14H2,1-3H3,(H2,20,25)/t19-/m1/s1

InChI Key

ICDPTEPAEQPWNU-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32243855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.342

Distribution Coefficient, logD

-1.934

Water Solubility, LogSw

-0.88

Polar Surface Area

89.727

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

8.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.95

SA93-0868 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 SA93-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA93-0868?
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What is the minimum amount of SA93-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA93-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA93-0868
  • 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 SA93-0868 available by request