SA68-0645 Screening compound: N1-[1-(3-chlorobenzenesulfonyl)piperidin-4-yl]-N1-(oxan-4-yl)ethane-1,2-diamine

SA68-0645 Screening compound: N1-[1-(3-chlorobenzenesulfonyl)piperidin-4-yl]-N1-(oxan-4-yl)ethane-1,2-diamine
SA68-0645 Screening compound: N1-[1-(3-chlorobenzenesulfonyl)piperidin-4-yl]-N1-(oxan-4-yl)ethane-1,2-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA68-0645
N1-[1-(3-chlorobenzenesulfonyl)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

SA68-0645

Molecular Formula

C18H28ClN3O3S (C18 H28 ClN3 O3 S)

Compound Name

N1-[1-(3-chlorobenzenesulfonyl)piperidin-4-yl]-N1-(oxan-4-yl)ethane-1,2-diamine

IUPAC name

N1-[1-(3-chlorobenzenesulfonyl)piperidin-4-yl]-N1-(oxan-4-yl)ethane-12-diamine

SMILES

NCCN(C(CC1)CCN1S(c1cccc(Cl)c1)(=O)=O)C1CCOCC1

InChI

InChI=1S/C18H28ClN3O3S/c19-15-2-1-3-18(14-15)26(23,24)21-9-4-16(5-10-21)22(11-8-20)17-6-12-25-13-7-17/h1-3,14,16-17H,4-13,20H2

InChI Key

RLNMEFOHXWMSKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32239101

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

401.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.308

Distribution Coefficient, logD

0.490

Water Solubility, LogSw

-2.99

Polar Surface Area

62.893

Acid Dissociation Constant (pKa)

26.84

Base Dissociation Constant (pKb)

9.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

SA68-0645 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA68-0645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA68-0645?
Check Price and Availability of SA68-0645, 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 SA68-0645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA68-0645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA68-0645
  • 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 SA68-0645 available by request