SA68-0630 Screening compound: N1-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N1-(oxan-4-yl)ethane-1,2-diamine

SA68-0630 Screening compound: N1-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N1-(oxan-4-yl)ethane-1,2-diamine
SA68-0630 Screening compound: N1-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N1-(oxan-4-yl)ethane-1,2-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA68-0630
N1-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N1-(oxan-4-yl)ethane-1,2-diamine

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

SA68-0630

Molecular Formula

C19H27F2N3O2 (C19 H27 F2 N3 O2)

Compound Name

N1-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N1-(oxan-4-yl)ethane-1,2-diamine

IUPAC name

N1-[1-(24-difluorobenzoyl)piperidin-4-yl]-N1-(oxan-4-yl)ethane-12-diamine

SMILES

NCCN(C(CC1)CCN1C(c(ccc(F)c1)c1F)=O)C1CCOCC1

InChI

InChI=1S/C19H27F2N3O2/c20-14-1-2-17(18(21)13-14)19(25)23-8-3-15(4-9-23)24(10-7-22)16-5-11-26-12-6-16/h1-2,13,15-16H,3-12,22H2

InChI Key

JQKRWKSDJVOJGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32239063

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

367.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.842

Distribution Coefficient, logD

-1.153

Water Solubility, LogSw

-2.54

Polar Surface Area

47.830

Acid Dissociation Constant (pKa)

26.84

Base Dissociation Constant (pKb)

10.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.16

SA68-0630 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA68-0630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA68-0630?
Check Price and Availability of SA68-0630, 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 SA68-0630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA68-0630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA68-0630
  • 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 SA68-0630 available by request