SD68-0706 Screening compound: 2-(3-methylbenzyl)-9-[(5-methyl-2-thienyl)carbonyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one

SD68-0706 Screening compound: 2-(3-methylbenzyl)-9-[(5-methyl-2-thienyl)carbonyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
SD68-0706 Screening compound: 2-(3-methylbenzyl)-9-[(5-methyl-2-thienyl)carbonyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SD68-0706
2-(3-methylbenzyl)-9-[(5-methyl-2-thienyl)carbonyl]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

SD68-0706

Molecular Formula

C22H27N3O2S (C22 H27 N3 O2 S)

Compound Name

2-(3-methylbenzyl)-9-[(5-methyl-2-thienyl)carbonyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one

IUPAC name

n/a

SMILES

Cc1ccc(C(N2CC(C(N(Cc3cc(C)ccc3)CC3)=O)N3CCC2)=O)s1

InChI

InChI=1S/C22H27N3O2S/c1-16-5-3-6-18(13-16)14-25-12-11-23-9-4-10-24(15-19(23)21(25)26)22(27)20-8-7-17(2)28-20/h3,5-8,13,19H,4,9-12,14-15H2,1-2H3/t19-/m0/s1

InChI Key

SJQXXZNNQUGMGZ-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.342

Distribution Coefficient, logD

3.340

Water Solubility, LogSw

-3.44

Polar Surface Area

37.754

Acid Dissociation Constant (pKa)

20.67

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.45

References: we are preparing a list of scientific research reports with SD68-0706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD68-0706?
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What is the minimum amount of SD68-0706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD68-0706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD68-0706
  • 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 SD68-0706 available by request