6872-0315 Screening compound: 1-[3-(3-methylbutoxy)phenyl]-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6872-0315 Screening compound: 1-[3-(3-methylbutoxy)phenyl]-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6872-0315 Screening compound: 1-[3-(3-methylbutoxy)phenyl]-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6872-0315
1-[3-(3-methylbutoxy)phenyl]-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-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

6872-0315

Molecular Formula

C29H34N2O5 (C29 H34 N2 O5)

Compound Name

1-[3-(3-methylbutoxy)phenyl]-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

1-[3-(3-methylbutoxy)phenyl]-2-[3-(morpholin-4-yl)propyl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CC(C)CCOc1cccc(C(C2=C3Oc(cccc4)c4C2=O)N(CCCN2CCOCC2)C3=O)c1

InChI

InChI=1S/C29H34N2O5/c1-20(2)11-16-35-22-8-5-7-21(19-22)26-25-27(32)23-9-3-4-10-24(23)36-28(25)29(33)31(26)13-6-12-30-14-17-34-18-15-30/h3-5,7-10,19-20,26H,6,11-18H2,1-2H3/t26-/m1/s1

InChI Key

KLSJXKJWKOETDA-AREMUKBSSA-N

MDL Number (MFCD)

MFCD04447457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.397

Distribution Coefficient, logD

4.223

Water Solubility, LogSw

-4.12

Polar Surface Area

56.020

Acid Dissociation Constant (pKa)

18.11

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.80

6872-0315 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 6872-0315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6872-0315?
Check Price and Availability of 6872-0315, 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 6872-0315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6872-0315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6872-0315
  • 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 6872-0315 available by request