6872-4205 Screening compound: 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethoxyphenyl)-6,7-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6872-4205 Screening compound: 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethoxyphenyl)-6,7-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6872-4205 Screening compound: 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethoxyphenyl)-6,7-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6872-4205
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethoxyphenyl)-6,7-dimethyl-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

6872-4205

Molecular Formula

C26H24N2O4S (C26 H24 N2 O4 S)

Compound Name

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethoxyphenyl)-6,7-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

2-(45-dimethyl-13-thiazol-2-yl)-1-(3-ethoxyphenyl)-67-dimethyl-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CCOc1cccc(C(C2=C(C3=O)Oc(cc(C)c(C)c4)c4C2=O)N3c2nc(C)c(C)s2)c1

InChI

InChI=1S/C26H24N2O4S/c1-6-31-18-9-7-8-17(12-18)22-21-23(29)19-10-13(2)14(3)11-20(19)32-24(21)25(30)28(22)26-27-15(4)16(5)33-26/h7-12,22H,6H2,1-5H3/t22-/m1/s1

InChI Key

FJJRDSGPRRJPKZ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04447699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.916

Distribution Coefficient, logD

5.916

Water Solubility, LogSw

-5.55

Polar Surface Area

53.642

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

6872-4205 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with 6872-4205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6872-4205?
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What is the minimum amount of 6872-4205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6872-4205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6872-4205
  • 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 6872-4205 available by request