6391-0136 Screening compound: 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6391-0136 Screening compound: 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6391-0136 Screening compound: 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6391-0136
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-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

6391-0136

Molecular Formula

C24H18N2O6S (C24 H18 N2 O6 S)

Compound Name

2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

2-(5-acetyl-4-methyl-13-thiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CC(c1c(C)nc(N(C(C2=C3Oc(cccc4)c4C2=O)c(cc2)cc(OC)c2O)C3=O)s1)=O

InChI

InChI=1S/C24H18N2O6S/c1-11-22(12(2)27)33-24(25-11)26-19(13-8-9-15(28)17(10-13)31-3)18-20(29)14-6-4-5-7-16(14)32-21(18)23(26)30/h4-10,19,28H,1-3H3/t19-/m1/s1

InChI Key

FQJDAKGVKSASED-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06289316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.198

Distribution Coefficient, logD

3.196

Water Solubility, LogSw

-3.43

Polar Surface Area

84.524

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

-7.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

6391-0136 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 6391-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6391-0136?
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What is the minimum amount of 6391-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6391-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6391-0136
  • 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 6391-0136 available by request