SA68-0780 Screening compound: 3,4-dimethyl-N-{2-[(oxan-4-yl)[1-(propan-2-yl)piperidin-4-yl]amino]ethyl}benzamide

SA68-0780 Screening compound: 3,4-dimethyl-N-{2-[(oxan-4-yl)[1-(propan-2-yl)piperidin-4-yl]amino]ethyl}benzamide
SA68-0780 Screening compound: 3,4-dimethyl-N-{2-[(oxan-4-yl)[1-(propan-2-yl)piperidin-4-yl]amino]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA68-0780
3,4-dimethyl-N-{2-[(oxan-4-yl)[1-(propan-2-yl)piperidin-4-yl]amino]ethyl}benzamide

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

SA68-0780

Molecular Formula

C24H39N3O2 (C24 H39 N3 O2)

Compound Name

3,4-dimethyl-N-{2-[(oxan-4-yl)[1-(propan-2-yl)piperidin-4-yl]amino]ethyl}benzamide

IUPAC name

34-dimethyl-N-{2-[(oxan-4-yl)[1-(propan-2-yl)piperidin-4-yl]amino]ethyl}benzamide

SMILES

CC(C)N(CC1)CCC1N(CCNC(c1cc(C)c(C)cc1)=O)C1CCOCC1

InChI

InChI=1S/C24H39N3O2/c1-18(2)26-12-7-22(8-13-26)27(23-9-15-29-16-10-23)14-11-25-24(28)21-6-5-19(3)20(4)17-21/h5-6,17-18,22-23H,7-16H2,1-4H3,(H,25,28)

InChI Key

HVIPCQGRRFSPNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32239178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.730

Distribution Coefficient, logD

1.560

Water Solubility, LogSw

-3.89

Polar Surface Area

38.337

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

9.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.83

SA68-0780 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with SA68-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA68-0780?
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What is the minimum amount of SA68-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA68-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA68-0780
  • 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 SA68-0780 available by request