SD68-0475 Screening compound: 9-[(2-chlorobenzyl)sulfonyl]-2-(2-methoxyethyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one

SD68-0475 Screening compound: 9-[(2-chlorobenzyl)sulfonyl]-2-(2-methoxyethyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
SD68-0475 Screening compound: 9-[(2-chlorobenzyl)sulfonyl]-2-(2-methoxyethyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SD68-0475
9-[(2-chlorobenzyl)sulfonyl]-2-(2-methoxyethyl)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

SD68-0475

Molecular Formula

C18H26ClN3O4S (C18 H26 ClN3 O4 S)

Compound Name

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

IUPAC name

n/a

SMILES

COCCN(CCN(CCC1)C2CN1S(Cc(cccc1)c1Cl)(=O)=O)C2=O

InChI

InChI=1S/C18H26ClN3O4S/c1-26-12-11-21-10-9-20-7-4-8-22(13-17(20)18(21)23)27(24,25)14-15-5-2-3-6-16(15)19/h2-3,5-6,17H,4,7-14H2,1H3/t17-/m0/s1

InChI Key

CHYBIDACZIXTFZ-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.038

Distribution Coefficient, logD

1.038

Water Solubility, LogSw

-2.47

Polar Surface Area

60.285

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

SD68-0475 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 SD68-0475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD68-0475?
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What is the minimum amount of SD68-0475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD68-0475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD68-0475
  • 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 SD68-0475 available by request