6872-4421 Screening compound: 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-7-fluoro-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6872-4421 Screening compound: 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-7-fluoro-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6872-4421 Screening compound: 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-7-fluoro-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6872-4421
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-7-fluoro-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

6872-4421

Molecular Formula

C24H19FN2O3S (C24 H19 FN2 O3 S)

Compound Name

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

IUPAC name

2-(45-dimethyl-13-thiazol-2-yl)-1-(4-ethylphenyl)-7-fluoro-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CCc1ccc(C(C2=C(C3=O)Oc(ccc(F)c4)c4C2=O)N3c2nc(C)c(C)s2)cc1

InChI

InChI=1S/C24H19FN2O3S/c1-4-14-5-7-15(8-6-14)20-19-21(28)17-11-16(25)9-10-18(17)30-22(19)23(29)27(20)24-26-12(2)13(3)31-24/h5-11,20H,4H2,1-3H3/t20-/m1/s1

InChI Key

YCLAQBJNUBDZNP-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD06645312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.543

Distribution Coefficient, logD

5.543

Water Solubility, LogSw

-5.51

Polar Surface Area

46.519

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

6872-4421 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 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 6872-4421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6872-4421?
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What is the minimum amount of 6872-4421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6872-4421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6872-4421
  • 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 6872-4421 available by request