6872-0592 Screening compound: 1-(3-ethoxyphenyl)-7-fluoro-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6872-0592 Screening compound: 1-(3-ethoxyphenyl)-7-fluoro-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6872-0592 Screening compound: 1-(3-ethoxyphenyl)-7-fluoro-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 6872-0592
1-(3-ethoxyphenyl)-7-fluoro-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

6872-0592

Molecular Formula

C26H27FN2O5 (C26 H27 FN2 O5)

Compound Name

1-(3-ethoxyphenyl)-7-fluoro-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

1-(3-ethoxyphenyl)-7-fluoro-2-[3-(morpholin-4-yl)propyl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CCOc1cccc(C(C2=C3Oc(ccc(F)c4)c4C2=O)N(CCCN2CCOCC2)C3=O)c1

InChI

InChI=1S/C26H27FN2O5/c1-2-33-19-6-3-5-17(15-19)23-22-24(30)20-16-18(27)7-8-21(20)34-25(22)26(31)29(23)10-4-9-28-11-13-32-14-12-28/h3,5-8,15-16,23H,2,4,9-14H2,1H3/t23-/m1/s1

InChI Key

QVXYMZHLNMWDBU-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD05938025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.291

Distribution Coefficient, logD

3.117

Water Solubility, LogSw

-3.66

Polar Surface Area

55.726

Acid Dissociation Constant (pKa)

17.72

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

6872-0592 in Drug Discovery

Included in Screening Libraries

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 6872-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6872-0592?
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What is the minimum amount of 6872-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6872-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6872-0592
  • 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 6872-0592 available by request