SD68-0714 Screening compound: 2-(3-methylbenzyl)-9-[(1-methylcyclohexyl)carbonyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one

SD68-0714 Screening compound: 2-(3-methylbenzyl)-9-[(1-methylcyclohexyl)carbonyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
SD68-0714 Screening compound: 2-(3-methylbenzyl)-9-[(1-methylcyclohexyl)carbonyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SD68-0714
2-(3-methylbenzyl)-9-[(1-methylcyclohexyl)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

SD68-0714

Molecular Formula

C24H35N3O2 (C24 H35 N3 O2)

Compound Name

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

IUPAC name

n/a

SMILES

CC1(CCCCC1)C(N1CC(C(N(Cc2cc(C)ccc2)CC2)=O)N2CCC1)=O

InChI

InChI=1S/C24H35N3O2/c1-19-8-6-9-20(16-19)17-26-15-14-25-12-7-13-27(18-21(25)22(26)28)23(29)24(2)10-4-3-5-11-24/h6,8-9,16,21H,3-5,7,10-15,17-18H2,1-2H3/t21-/m0/s1

InChI Key

JJXDWDOQPUJGML-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.56

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

3.350

Distribution Coefficient, logD

3.342

Water Solubility, LogSw

-3.36

Polar Surface Area

36.928

Acid Dissociation Constant (pKa)

20.75

Base Dissociation Constant (pKb)

5.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SD68-0714 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 SD68-0714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD68-0714?
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What is the minimum amount of SD68-0714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD68-0714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD68-0714
  • 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 SD68-0714 available by request