6391-0019 Screening compound: 1-(3-ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6391-0019 Screening compound: 1-(3-ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6391-0019 Screening compound: 1-(3-ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6391-0019
1-(3-ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-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

6391-0019

Molecular Formula

C22H16N2O5S (C22 H16 N2 O5 S)

Compound Name

1-(3-ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

1-(3-ethoxy-4-hydroxyphenyl)-2-(13-thiazol-2-yl)-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CCOc(cc(C(C1=C(C2=O)Oc(cccc3)c3C1=O)N2c1nccs1)cc1)c1O

InChI

InChI=1S/C22H16N2O5S/c1-2-28-16-11-12(7-8-14(16)25)18-17-19(26)13-5-3-4-6-15(13)29-20(17)21(27)24(18)22-23-9-10-30-22/h3-11,18,25H,2H2,1H3/t18-/m1/s1

InChI Key

KXWOIZFANNYHGZ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD04447844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.285

Distribution Coefficient, logD

3.284

Water Solubility, LogSw

-3.56

Polar Surface Area

70.132

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

6391-0019 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 6391-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6391-0019?
Check Price and Availability of 6391-0019, 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 6391-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6391-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6391-0019
  • 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 6391-0019 available by request