6872-4371 Screening compound: prop-2-en-1-yl 2-[7-fluoro-1-(4-hydroxyphenyl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

6872-4371 Screening compound: prop-2-en-1-yl 2-[7-fluoro-1-(4-hydroxyphenyl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
6872-4371 Screening compound: prop-2-en-1-yl 2-[7-fluoro-1-(4-hydroxyphenyl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6872-4371
prop-2-en-1-yl 2-[7-fluoro-1-(4-hydroxyphenyl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

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

6872-4371

Molecular Formula

C25H17FN2O6S (C25 H17 FN2 O6 S)

Compound Name

prop-2-en-1-yl 2-[7-fluoro-1-(4-hydroxyphenyl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

prop-2-en-1-yl 2-[7-fluoro-1-(4-hydroxyphenyl)-39-dioxo-1H2H3H9H-chromeno[23-c]pyrrol-2-yl]-4-methyl-13-thiazole-5-carboxylate

SMILES

Cc1c(C(OCC=C)=O)sc(N(C(C2=C3Oc(ccc(F)c4)c4C2=O)c(cc2)ccc2O)C3=O)n1

InChI

InChI=1S/C25H17FN2O6S/c1-3-10-33-24(32)22-12(2)27-25(35-22)28-19(13-4-7-15(29)8-5-13)18-20(30)16-11-14(26)6-9-17(16)34-21(18)23(28)31/h3-9,11,19,29H,1,10H2,2H3/t19-/m1/s1

InChI Key

ZGZGILJJRXCNRC-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06645571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.162

Distribution Coefficient, logD

4.161

Water Solubility, LogSw

-4.41

Polar Surface Area

85.184

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

-6.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

6872-4371 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6872-4371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6872-4371?
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What is the minimum amount of 6872-4371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6872-4371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6872-4371
  • 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 6872-4371 available by request