SD67-0590 Screening compound: 9-(3,5-dimethylbenzoyl)-2-(4-fluorobenzyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione

SD67-0590 Screening compound: 9-(3,5-dimethylbenzoyl)-2-(4-fluorobenzyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
SD67-0590 Screening compound: 9-(3,5-dimethylbenzoyl)-2-(4-fluorobenzyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SD67-0590
9-(3,5-dimethylbenzoyl)-2-(4-fluorobenzyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione

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

SD67-0590

Molecular Formula

C24H26FN3O3 (C24 H26 FN3 O3)

Compound Name

9-(3,5-dimethylbenzoyl)-2-(4-fluorobenzyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione

IUPAC name

n/a

SMILES

Cc1cc(C(N(CCC2)CC(C(N(Cc(cc3)ccc3F)C3)=O)N2C3=O)=O)cc(C)c1

InChI

InChI=1S/C24H26FN3O3/c1-16-10-17(2)12-19(11-16)23(30)26-8-3-9-28-21(14-26)24(31)27(15-22(28)29)13-18-4-6-20(25)7-5-18/h4-7,10-12,21H,3,8-9,13-15H2,1-2H3/t21-/m0/s1

InChI Key

BRQGOGPEHYNJMC-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.077

Distribution Coefficient, logD

2.077

Water Solubility, LogSw

-2.55

Polar Surface Area

50.024

Acid Dissociation Constant (pKa)

20.48

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with SD67-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD67-0590?
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What is the minimum amount of SD67-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD67-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD67-0590
  • 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 SD67-0590 available by request