6391-0166 Screening compound: 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-[3-(benzyloxy)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6391-0166 Screening compound: 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-[3-(benzyloxy)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6391-0166 Screening compound: 2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-[3-(benzyloxy)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6391-0166
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-[3-(benzyloxy)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

6391-0166

Molecular Formula

C30H22N2O5S (C30 H22 N2 O5 S)

Compound Name

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

SMILES

CC(c1c(C)nc(N(C(C2=C3Oc(cccc4)c4C2=O)c2cc(OCc4ccccc4)ccc2)C3=O)s1)=O

InChI

InChI=1S/C30H22N2O5S/c1-17-28(18(2)33)38-30(31-17)32-25(20-11-8-12-21(15-20)36-16-19-9-4-3-5-10-19)24-26(34)22-13-6-7-14-23(22)37-27(24)29(32)35/h3-15,25H,16H2,1-2H3/t25-/m1/s1

InChI Key

WKFPBYPLJWAVQN-RUZDIDTESA-N

MDL Number (MFCD)

MFCD04448403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.58

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

5.405

Distribution Coefficient, logD

5.405

Water Solubility, LogSw

-5.57

Polar Surface Area

67.573

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-7.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

6391-0166 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with 6391-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6391-0166?
Check Price and Availability of 6391-0166, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6391-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6391-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6391-0166
  • 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 6391-0166 available by request