SD68-0887 Screening compound: 2-(4-fluorobenzyl)-N~9~-(3-methoxypropyl)-1-oxooctahydropyrazino[1,2-a][1,4]diazepine-9(6H)-carboxamide

SD68-0887 Screening compound: 2-(4-fluorobenzyl)-N~9~-(3-methoxypropyl)-1-oxooctahydropyrazino[1,2-a][1,4]diazepine-9(6H)-carboxamide
SD68-0887 Screening compound: 2-(4-fluorobenzyl)-N~9~-(3-methoxypropyl)-1-oxooctahydropyrazino[1,2-a][1,4]diazepine-9(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD68-0887
2-(4-fluorobenzyl)-N~9~-(3-methoxypropyl)-1-oxooctahydropyrazino[1,2-a][1,4]diazepine-9(6H)-carboxamide

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

SD68-0887

Molecular Formula

C20H29FN4O3 (C20 H29 FN4 O3)

Compound Name

2-(4-fluorobenzyl)-N~9~-(3-methoxypropyl)-1-oxooctahydropyrazino[1,2-a][1,4]diazepine-9(6H)-carboxamide

IUPAC name

n/a

SMILES

COCCCNC(N1CC(C(N(Cc(cc2)ccc2F)CC2)=O)N2CCC1)=O

InChI

InChI=1S/C20H29FN4O3/c1-28-13-2-8-22-20(27)25-10-3-9-23-11-12-24(19(26)18(23)15-25)14-16-4-6-17(21)7-5-16/h4-7,18H,2-3,8-15H2,1H3,(H,22,27)/t18-/m0/s1

InChI Key

NLMZVVPZMPADEW-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.153

Distribution Coefficient, logD

0.973

Water Solubility, LogSw

-2.13

Polar Surface Area

55.334

Acid Dissociation Constant (pKa)

16.93

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with SD68-0887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD68-0887?
Check Price and Availability of SD68-0887, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SD68-0887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD68-0887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD68-0887
  • 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 SD68-0887 available by request