6872-4439 Screening compound: 2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-fluoro-1-(4-propoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6872-4439 Screening compound: 2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-fluoro-1-(4-propoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6872-4439 Screening compound: 2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-fluoro-1-(4-propoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6872-4439
2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-fluoro-1-(4-propoxyphenyl)-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

6872-4439

Molecular Formula

C25H21FN2O4S (C25 H21 FN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc1ccc(C(C2=C(C3=O)Oc(ccc(F)c4)c4C2=O)N3c2nc(C)c(C)s2)cc1

InChI

InChI=1S/C25H21FN2O4S/c1-4-11-31-17-8-5-15(6-9-17)21-20-22(29)18-12-16(26)7-10-19(18)32-23(20)24(30)28(21)25-27-13(2)14(3)33-25/h5-10,12,21H,4,11H2,1-3H3/t21-/m1/s1

InChI Key

YKODNGTWGMKRBM-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD06646878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.572

Distribution Coefficient, logD

5.572

Water Solubility, LogSw

-5.52

Polar Surface Area

53.936

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

6872-4439 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 6872-4439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6872-4439?
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What is the minimum amount of 6872-4439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6872-4439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6872-4439
  • 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 6872-4439 available by request