SD68-0146 Screening compound: 9-[(4-chlorobenzyl)sulfonyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one

SD68-0146 Screening compound: 9-[(4-chlorobenzyl)sulfonyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
SD68-0146 Screening compound: 9-[(4-chlorobenzyl)sulfonyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SD68-0146
9-[(4-chlorobenzyl)sulfonyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one

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

SD68-0146

Molecular Formula

C15H20ClN3O3S (C15 H20 ClN3 O3 S)

Compound Name

9-[(4-chlorobenzyl)sulfonyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one

IUPAC name

n/a

SMILES

O=C1NCCN(CCC2)C1CN2S(Cc(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C15H20ClN3O3S/c16-13-4-2-12(3-5-13)11-23(21,22)19-8-1-7-18-9-6-17-15(20)14(18)10-19/h2-5,14H,1,6-11H2,(H,17,20)/t14-/m0/s1

InChI Key

RESQZRLOFRAVBY-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.533

Distribution Coefficient, logD

0.532

Water Solubility, LogSw

-2.63

Polar Surface Area

60.347

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

SD68-0146 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 SD68-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD68-0146?
Check Price and Availability of SD68-0146, 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 SD68-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD68-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD68-0146
  • 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 SD68-0146 available by request