SD68-0686 Screening compound: 9-[2-(4-fluorophenyl)acetyl]-2-(3-methylbenzyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one

SD68-0686 Screening compound: 9-[2-(4-fluorophenyl)acetyl]-2-(3-methylbenzyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
SD68-0686 Screening compound: 9-[2-(4-fluorophenyl)acetyl]-2-(3-methylbenzyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SD68-0686
9-[2-(4-fluorophenyl)acetyl]-2-(3-methylbenzyl)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

SD68-0686

Molecular Formula

C24H28FN3O2 (C24 H28 FN3 O2)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1cccc(CN(CCN(CCC2)C3CN2C(Cc(cc2)ccc2F)=O)C3=O)c1

InChI

InChI=1S/C24H28FN3O2/c1-18-4-2-5-20(14-18)16-28-13-12-26-10-3-11-27(17-22(26)24(28)30)23(29)15-19-6-8-21(25)9-7-19/h2,4-9,14,22H,3,10-13,15-17H2,1H3/t22-/m0/s1

InChI Key

DBHOWIYKGMEMSO-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.909

Distribution Coefficient, logD

2.903

Water Solubility, LogSw

-3.00

Polar Surface Area

36.208

Acid Dissociation Constant (pKa)

17.48

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

References: we are preparing a list of scientific research reports with SD68-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD68-0686?
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What is the minimum amount of SD68-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD68-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD68-0686
  • 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 SD68-0686 available by request