6872-4328 Screening compound: ethyl 2-[7-fluoro-1-(4-methylphenyl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

6872-4328 Screening compound: ethyl 2-[7-fluoro-1-(4-methylphenyl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
6872-4328 Screening compound: ethyl 2-[7-fluoro-1-(4-methylphenyl)-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 6872-4328
ethyl 2-[7-fluoro-1-(4-methylphenyl)-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

6872-4328

Molecular Formula

C25H19FN2O5S (C25 H19 FN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)nc(N(C(C2=C3Oc(ccc(F)c4)c4C2=O)c2ccc(C)cc2)C3=O)s1)=O

InChI

InChI=1S/C25H19FN2O5S/c1-4-32-24(31)22-13(3)27-25(34-22)28-19(14-7-5-12(2)6-8-14)18-20(29)16-11-15(26)9-10-17(16)33-21(18)23(28)30/h5-11,19H,4H2,1-3H3/t19-/m1/s1

InChI Key

LXAKQLULUBLGTI-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06645550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.201

Distribution Coefficient, logD

5.201

Water Solubility, LogSw

-5.15

Polar Surface Area

67.272

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-5.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

6872-4328 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 6872-4328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6872-4328?
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What is the minimum amount of 6872-4328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6872-4328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6872-4328
  • 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 6872-4328 available by request