6391-0163 Screening compound: 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-[3-(prop-2-en-1-yloxy)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6391-0163 Screening compound: 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-[3-(prop-2-en-1-yloxy)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6391-0163 Screening compound: 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-[3-(prop-2-en-1-yloxy)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6391-0163
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-[3-(prop-2-en-1-yloxy)phenyl]-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

6391-0163

Molecular Formula

C26H20N2O5S (C26 H20 N2 O5 S)

Compound Name

2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-[3-(prop-2-en-1-yloxy)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

2-(5-acetyl-4-methyl-13-thiazol-2-yl)-1-[3-(prop-2-en-1-yloxy)phenyl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CC(c1c(C)nc(N(C(C2=C3Oc(cccc4)c4C2=O)c2cc(OCC=C)ccc2)C3=O)s1)=O

InChI

InChI=1S/C26H20N2O5S/c1-4-12-32-17-9-7-8-16(13-17)21-20-22(30)18-10-5-6-11-19(18)33-23(20)25(31)28(21)26-27-14(2)24(34-26)15(3)29/h4-11,13,21H,1,12H2,2-3H3/t21-/m1/s1

InChI Key

QNUFXOQXILTLBW-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD06289341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.524

Distribution Coefficient, logD

4.524

Water Solubility, LogSw

-4.58

Polar Surface Area

67.763

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-7.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

6391-0163 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)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6391-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6391-0163?
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What is the minimum amount of 6391-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6391-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6391-0163
  • 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 6391-0163 available by request