6872-3342 Screening compound: 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6872-3342 Screening compound: 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6872-3342 Screening compound: 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6872-3342
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-7-methyl-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

6872-3342

Molecular Formula

C24H17FN2O4S (C24 H17 FN2 O4 S)

Compound Name

2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-7-methyl-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-fluorophenyl)-7-methyl-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CC(c1c(C)nc(N(C(C2=C3Oc(ccc(C)c4)c4C2=O)c(cc2)ccc2F)C3=O)s1)=O

InChI

InChI=1S/C24H17FN2O4S/c1-11-4-9-17-16(10-11)20(29)18-19(14-5-7-15(25)8-6-14)27(23(30)21(18)31-17)24-26-12(2)22(32-24)13(3)28/h4-10,19H,1-3H3/t19-/m1/s1

InChI Key

SUHFVXFJDANRMY-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06644970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.390

Distribution Coefficient, logD

4.389

Water Solubility, LogSw

-4.50

Polar Surface Area

60.345

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-7.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

6872-3342 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 6872-3342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6872-3342?
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What is the minimum amount of 6872-3342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6872-3342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6872-3342
  • 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 6872-3342 available by request