SD68-0821 Screening compound: 9-(5-chloro-2-fluorobenzoyl)-2-(4-fluorobenzyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one

SD68-0821 Screening compound: 9-(5-chloro-2-fluorobenzoyl)-2-(4-fluorobenzyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
SD68-0821 Screening compound: 9-(5-chloro-2-fluorobenzoyl)-2-(4-fluorobenzyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SD68-0821
9-(5-chloro-2-fluorobenzoyl)-2-(4-fluorobenzyl)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

SD68-0821

Molecular Formula

C22H22ClF2N3O2 (C22 H22 ClF2 N3 O2)

Compound Name

9-(5-chloro-2-fluorobenzoyl)-2-(4-fluorobenzyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one

IUPAC name

n/a

SMILES

O=C(c(cc(cc1)Cl)c1F)N1CC(C(N(Cc(cc2)ccc2F)CC2)=O)N2CCC1

InChI

InChI=1S/C22H22ClF2N3O2/c23-16-4-7-19(25)18(12-16)21(29)27-9-1-8-26-10-11-28(22(30)20(26)14-27)13-15-2-5-17(24)6-3-15/h2-7,12,20H,1,8-11,13-14H2/t20-/m0/s1

InChI Key

CEKJSRKHHLHYEJ-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.89

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

2.882

Distribution Coefficient, logD

2.881

Water Solubility, LogSw

-3.55

Polar Surface Area

36.736

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

SD68-0821 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SD68-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD68-0821?
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What is the minimum amount of SD68-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD68-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD68-0821
  • 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 SD68-0821 available by request