J087-0689 Screening compound: methyl 1-[2-(morpholinocarbonyl)-1,1-dioxo-1H-1-benzothiophen-3-yl]-4-piperidinecarboxylate

J087-0689 Screening compound: methyl 1-[2-(morpholinocarbonyl)-1,1-dioxo-1H-1-benzothiophen-3-yl]-4-piperidinecarboxylate
J087-0689 Screening compound: methyl 1-[2-(morpholinocarbonyl)-1,1-dioxo-1H-1-benzothiophen-3-yl]-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J087-0689
methyl 1-[2-(morpholinocarbonyl)-1,1-dioxo-1H-1-benzothiophen-3-yl]-4-piperidinecarboxylate

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

J087-0689

Molecular Formula

C20H24N2O6S (C20 H24 N2 O6 S)

Compound Name

methyl 1-[2-(morpholinocarbonyl)-1,1-dioxo-1H-1-benzothiophen-3-yl]-4-piperidinecarboxylate

IUPAC name

methyl 1-[2-(morpholine-4-carbonyl)-11-dioxo-1lambda6-benzothiophen-3-yl]piperidine-4-carboxylate

SMILES

COC(C(CC1)CCN1C(c1c2cccc1)=C(C(N1CCOCC1)=O)S2(=O)=O)=O

InChI

InChI=1S/C20H24N2O6S/c1-27-20(24)14-6-8-21(9-7-14)17-15-4-2-3-5-16(15)29(25,26)18(17)19(23)22-10-12-28-13-11-22/h2-5,14H,6-13H2,1H3

InChI Key

SBFFNHPXLFMUMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09476413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.880

Distribution Coefficient, logD

0.880

Water Solubility, LogSw

-2.25

Polar Surface Area

78.607

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with J087-0689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J087-0689?
Check Price and Availability of J087-0689, 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 J087-0689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J087-0689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J087-0689
  • 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 J087-0689 available by request