SD68-0355 Screening compound: 9-(3,5-dimethylbenzoyl)-2-(2-methoxyethyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one

SD68-0355 Screening compound: 9-(3,5-dimethylbenzoyl)-2-(2-methoxyethyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
SD68-0355 Screening compound: 9-(3,5-dimethylbenzoyl)-2-(2-methoxyethyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SD68-0355
9-(3,5-dimethylbenzoyl)-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

SD68-0355

Molecular Formula

C20H29N3O3 (C20 H29 N3 O3)

Compound Name

9-(3,5-dimethylbenzoyl)-2-(2-methoxyethyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one

IUPAC name

n/a

SMILES

Cc1cc(C(N2CC(C(N(CCOC)CC3)=O)N3CCC2)=O)cc(C)c1

InChI

InChI=1S/C20H29N3O3/c1-15-11-16(2)13-17(12-15)19(24)23-6-4-5-21-7-8-22(9-10-26-3)20(25)18(21)14-23/h11-13,18H,4-10,14H2,1-3H3/t18-/m0/s1

InChI Key

FKIJJCKTCKQSCJ-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.203

Distribution Coefficient, logD

1.192

Water Solubility, LogSw

-1.47

Polar Surface Area

45.328

Acid Dissociation Constant (pKa)

21.18

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

SD68-0355 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SD68-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD68-0355?
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What is the minimum amount of SD68-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD68-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD68-0355
  • 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 SD68-0355 available by request