6872-0548 Screening compound: 6,7-dimethyl-2-[3-(morpholin-4-yl)propyl]-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6872-0548 Screening compound: 6,7-dimethyl-2-[3-(morpholin-4-yl)propyl]-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6872-0548 Screening compound: 6,7-dimethyl-2-[3-(morpholin-4-yl)propyl]-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6872-0548
6,7-dimethyl-2-[3-(morpholin-4-yl)propyl]-1-[4-(propan-2-yl)phenyl]-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

6872-0548

Molecular Formula

C29H34N2O4 (C29 H34 N2 O4)

Compound Name

6,7-dimethyl-2-[3-(morpholin-4-yl)propyl]-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

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

SMILES

CC(C)c1ccc(C(C2=C3Oc(cc(C)c(C)c4)c4C2=O)N(CCCN2CCOCC2)C3=O)cc1

InChI

InChI=1S/C29H34N2O4/c1-18(2)21-6-8-22(9-7-21)26-25-27(32)23-16-19(3)20(4)17-24(23)35-28(25)29(33)31(26)11-5-10-30-12-14-34-15-13-30/h6-9,16-18,26H,5,10-15H2,1-4H3/t26-/m1/s1

InChI Key

LDVQVRMEYZYBNL-AREMUKBSSA-N

MDL Number (MFCD)

MFCD04447768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.118

Distribution Coefficient, logD

4.944

Water Solubility, LogSw

-4.92

Polar Surface Area

48.602

Acid Dissociation Constant (pKa)

18.11

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.80

6872-0548 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6872-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6872-0548?
Check Price and Availability of 6872-0548, 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 6872-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6872-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6872-0548
  • 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 6872-0548 available by request