6872-3631 Screening compound: methyl 4-methyl-2-{7-methyl-1-[4-(methylsulfanyl)phenyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl}-1,3-thiazole-5-carboxylate

6872-3631 Screening compound: methyl 4-methyl-2-{7-methyl-1-[4-(methylsulfanyl)phenyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl}-1,3-thiazole-5-carboxylate
6872-3631 Screening compound: methyl 4-methyl-2-{7-methyl-1-[4-(methylsulfanyl)phenyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl}-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6872-3631
methyl 4-methyl-2-{7-methyl-1-[4-(methylsulfanyl)phenyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl}-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

6872-3631

Molecular Formula

C25H20N2O5S2 (C25 H20 N2 O5 S2)

Compound Name

methyl 4-methyl-2-{7-methyl-1-[4-(methylsulfanyl)phenyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl}-1,3-thiazole-5-carboxylate

IUPAC name

methyl 4-methyl-2-{7-methyl-1-[4-(methylsulfanyl)phenyl]-39-dioxo-1H2H3H9H-chromeno[23-c]pyrrol-2-yl}-13-thiazole-5-carboxylate

SMILES

Cc1c(C(OC)=O)sc(N(C(C2=C3Oc(ccc(C)c4)c4C2=O)c(cc2)ccc2SC)C3=O)n1

InChI

InChI=1S/C25H20N2O5S2/c1-12-5-10-17-16(11-12)20(28)18-19(14-6-8-15(33-4)9-7-14)27(23(29)21(18)32-17)25-26-13(2)22(34-25)24(30)31-3/h5-11,19H,1-4H3/t19-/m1/s1

InChI Key

QPMDFWDPDXOHLE-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06644981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.258

Distribution Coefficient, logD

5.258

Water Solubility, LogSw

-5.25

Polar Surface Area

67.693

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-5.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

6872-3631 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

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:
  • Antiviral
  • Infections
  • Immune system
  • 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 6872-3631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6872-3631?
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What is the minimum amount of 6872-3631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6872-3631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6872-3631
  • 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 6872-3631 available by request