SA68-0874 Screening compound: N-{2-[(1-cyclopropanecarbonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-4-methoxy-2-methylbenzamide

SA68-0874 Screening compound: N-{2-[(1-cyclopropanecarbonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-4-methoxy-2-methylbenzamide
SA68-0874 Screening compound: N-{2-[(1-cyclopropanecarbonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-4-methoxy-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA68-0874
N-{2-[(1-cyclopropanecarbonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-4-methoxy-2-methylbenzamide

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

SA68-0874

Molecular Formula

C25H37N3O4 (C25 H37 N3 O4)

Compound Name

N-{2-[(1-cyclopropanecarbonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-4-methoxy-2-methylbenzamide

IUPAC name

N-{2-[(1-cyclopropanecarbonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-4-methoxy-2-methylbenzamide

SMILES

Cc(cc(cc1)OC)c1C(NCCN(C(CC1)CCN1C(C1CC1)=O)C1CCOCC1)=O

InChI

InChI=1S/C25H37N3O4/c1-18-17-22(31-2)5-6-23(18)24(29)26-11-14-28(21-9-15-32-16-10-21)20-7-12-27(13-8-20)25(30)19-3-4-19/h5-6,17,19-21H,3-4,7-16H2,1-2H3,(H,26,29)

InChI Key

LHNVNOYIRAVBQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32239433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.052

Distribution Coefficient, logD

1.075

Water Solubility, LogSw

-3.20

Polar Surface Area

58.996

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

9.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.00

SA68-0874 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with SA68-0874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA68-0874?
Check Price and Availability of SA68-0874, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SA68-0874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA68-0874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA68-0874
  • 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 SA68-0874 available by request