C086-0516 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)propanamide

C086-0516 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)propanamide
C086-0516 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C086-0516
N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)propanamide

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

C086-0516

Molecular Formula

C18H15N3O5 (C18 H15 N3 O5)

Compound Name

N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)propanamide

IUPAC name

n/a

SMILES

O=C(CCN(C(c1c2cncc1)=O)C2=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C18H15N3O5/c22-16(20-11-1-2-14-15(9-11)26-8-7-25-14)4-6-21-17(23)12-3-5-19-10-13(12)18(21)24/h1-3,5,9-10H,4,6-8H2,(H,20,22)

InChI Key

ZAOFUXGPNGTBOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05029002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.016

Distribution Coefficient, logD

-0.016

Water Solubility, LogSw

-1.71

Polar Surface Area

77.960

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C086-0516 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C086-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C086-0516?
Check Price and Availability of C086-0516, 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 C086-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C086-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C086-0516
  • 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 C086-0516 available by request