6872-0306 Screening compound: methyl 4-{2-[3-(morpholin-4-yl)propyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate

6872-0306 Screening compound: methyl 4-{2-[3-(morpholin-4-yl)propyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate
6872-0306 Screening compound: methyl 4-{2-[3-(morpholin-4-yl)propyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6872-0306
methyl 4-{2-[3-(morpholin-4-yl)propyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate

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

6872-0306

Molecular Formula

C26H26N2O6 (C26 H26 N2 O6)

Compound Name

methyl 4-{2-[3-(morpholin-4-yl)propyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate

IUPAC name

methyl 4-{2-[3-(morpholin-4-yl)propyl]-39-dioxo-1H2H3H9H-chromeno[23-c]pyrrol-1-yl}benzoate

SMILES

COC(c1ccc(C(C2=C3Oc(cccc4)c4C2=O)N(CCCN2CCOCC2)C3=O)cc1)=O

InChI

InChI=1S/C26H26N2O6/c1-32-26(31)18-9-7-17(8-10-18)22-21-23(29)19-5-2-3-6-20(19)34-24(21)25(30)28(22)12-4-11-27-13-15-33-16-14-27/h2-3,5-10,22H,4,11-16H2,1H3/t22-/m1/s1

InChI Key

RUDCAABJKWXMEH-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04155738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.747

Distribution Coefficient, logD

2.573

Water Solubility, LogSw

-3.26

Polar Surface Area

69.776

Acid Dissociation Constant (pKa)

18.11

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

6872-0306 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6872-0306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6872-0306?
Check Price and Availability of 6872-0306, 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 6872-0306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6872-0306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6872-0306
  • 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 6872-0306 available by request