SA68-1044 Screening compound: N-{2-[(1-methanesulfonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-2-methylfuran-3-carboxamide

SA68-1044 Screening compound: N-{2-[(1-methanesulfonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-2-methylfuran-3-carboxamide
SA68-1044 Screening compound: N-{2-[(1-methanesulfonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-2-methylfuran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA68-1044
N-{2-[(1-methanesulfonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-2-methylfuran-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

SA68-1044

Molecular Formula

C19H31N3O5S (C19 H31 N3 O5 S)

Compound Name

N-{2-[(1-methanesulfonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-2-methylfuran-3-carboxamide

IUPAC name

N-{2-[(1-methanesulfonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-2-methylfuran-3-carboxamide

SMILES

Cc(occ1)c1C(NCCN(C(CC1)CCN1S(C)(=O)=O)C1CCOCC1)=O

InChI

InChI=1S/C19H31N3O5S/c1-15-18(7-14-27-15)19(23)20-8-11-22(17-5-12-26-13-6-17)16-3-9-21(10-4-16)28(2,24)25/h7,14,16-17H,3-6,8-13H2,1-2H3,(H,20,23)

InChI Key

PSYYOTSNDYAMCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32239437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.256

Distribution Coefficient, logD

0.391

Water Solubility, LogSw

-2.30

Polar Surface Area

73.989

Acid Dissociation Constant (pKa)

12.93

Base Dissociation Constant (pKb)

8.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.68

SA68-1044 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA68-1044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA68-1044?
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What is the minimum amount of SA68-1044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA68-1044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA68-1044
  • 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 SA68-1044 available by request