Y070-0346 Screening compound: methyl (2E)-2-{[5-(2,5-dichlorophenyl)furan-2-yl]methylidene}-3-oxobutanoate

Y070-0346 Screening compound: methyl (2E)-2-{[5-(2,5-dichlorophenyl)furan-2-yl]methylidene}-3-oxobutanoate
Y070-0346 Screening compound: methyl (2E)-2-{[5-(2,5-dichlorophenyl)furan-2-yl]methylidene}-3-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0346
methyl (2E)-2-{[5-(2,5-dichlorophenyl)furan-2-yl]methylidene}-3-oxobutanoate

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

Y070-0346

Molecular Formula

C16H12Cl2O4 (C16 H12 Cl2 O4)

Compound Name

methyl (2E)-2-{[5-(2,5-dichlorophenyl)furan-2-yl]methylidene}-3-oxobutanoate

IUPAC name

methyl (2E)-2-{[5-(25-dichlorophenyl)furan-2-yl]methylidene}-3-oxobutanoate

SMILES

CC(/C(/C(OC)=O)=C\c1ccc(-c(cc(cc2)Cl)c2Cl)o1)=O

InChI

InChI=1S/C16H12Cl2O4/c1-9(19)12(16(20)21-2)8-11-4-6-15(22-11)13-7-10(17)3-5-14(13)18/h3-8H,1-2H3

InChI Key

HPXNCGHNBVQREM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03462835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.17

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.290

Distribution Coefficient, logD

4.290

Water Solubility, LogSw

-4.64

Polar Surface Area

42.809

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

Y070-0346 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 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 Y070-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0346?
Check Price and Availability of Y070-0346, 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 Y070-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0346
  • 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 Y070-0346 available by request