4264-1038 Screening compound: 1,3-diethyl 2-{[5-(4-chlorophenyl)furan-2-yl]methylidene}propanedioate

4264-1038 Screening compound: 1,3-diethyl 2-{[5-(4-chlorophenyl)furan-2-yl]methylidene}propanedioate
4264-1038 Screening compound: 1,3-diethyl 2-{[5-(4-chlorophenyl)furan-2-yl]methylidene}propanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4264-1038
1,3-diethyl 2-{[5-(4-chlorophenyl)furan-2-yl]methylidene}propanedioate

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

4264-1038

Molecular Formula

C18H17ClO5 (C18 H17 ClO5)

Compound Name

1,3-diethyl 2-{[5-(4-chlorophenyl)furan-2-yl]methylidene}propanedioate

IUPAC name

13-diethyl 2-{[5-(4-chlorophenyl)furan-2-yl]methylidene}propanedioate

SMILES

CCOC(C(C(OCC)=O)=Cc1ccc(-c(cc2)ccc2Cl)o1)=O

InChI

InChI=1S/C18H17ClO5/c1-3-22-17(20)15(18(21)23-4-2)11-14-9-10-16(24-14)12-5-7-13(19)8-6-12/h5-11H,3-4H2,1-2H3

InChI Key

ULPWUPKFTMMECB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00551671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.78

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.973

Distribution Coefficient, logD

4.973

Water Solubility, LogSw

-5.10

Polar Surface Area

49.316

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4264-1038 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4264-1038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4264-1038?
Check Price and Availability of 4264-1038, 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 4264-1038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4264-1038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4264-1038
  • 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 4264-1038 available by request