Y070-3513 Screening compound: 7-chloro-2-[(furan-2-yl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

Y070-3513 Screening compound: 7-chloro-2-[(furan-2-yl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
Y070-3513 Screening compound: 7-chloro-2-[(furan-2-yl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3513
7-chloro-2-[(furan-2-yl)methyl]-1-(3,4,5-trimethoxyphenyl)-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

Y070-3513

Molecular Formula

C25H20ClNO7 (C25 H20 ClNO7)

Compound Name

7-chloro-2-[(furan-2-yl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

7-chloro-2-[(furan-2-yl)methyl]-1-(345-trimethoxyphenyl)-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

COc1cc(C(C2=C3Oc(ccc(Cl)c4)c4C2=O)N(Cc2ccco2)C3=O)cc(OC)c1OC

InChI

InChI=1S/C25H20ClNO7/c1-30-18-9-13(10-19(31-2)23(18)32-3)21-20-22(28)16-11-14(26)6-7-17(16)34-24(20)25(29)27(21)12-15-5-4-8-33-15/h4-11,21H,12H2,1-3H3/t21-/m1/s1

InChI Key

MWVZROFVFUKGBS-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD04175217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.253

Distribution Coefficient, logD

4.253

Water Solubility, LogSw

-4.67

Polar Surface Area

67.460

Acid Dissociation Constant (pKa)

17.36

Base Dissociation Constant (pKb)

-5.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

Y070-3513 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y070-3513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3513?
Check Price and Availability of Y070-3513, 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 Y070-3513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3513
  • 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 Y070-3513 available by request