1013-0043 Screening compound: 5-(3-chloro-4-methoxyphenyl)furan-2-carbaldehyde

1013-0043 Screening compound: 5-(3-chloro-4-methoxyphenyl)furan-2-carbaldehyde
1013-0043 Screening compound: 5-(3-chloro-4-methoxyphenyl)furan-2-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 1013-0043
5-(3-chloro-4-methoxyphenyl)furan-2-carbaldehyde

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

1013-0043

Molecular Formula

C12H9ClO3 (C12 H9 ClO3)

Compound Name

5-(3-chloro-4-methoxyphenyl)furan-2-carbaldehyde

IUPAC name

5-(3-chloro-4-methoxyphenyl)furan-2-carbaldehyde

SMILES

COc(ccc(-c1ccc(C=O)o1)c1)c1Cl

InChI

InChI=1S/C12H9ClO3/c1-15-12-4-2-8(6-10(12)13)11-5-3-9(7-14)16-11/h2-7H,1H3

InChI Key

ZPFXNBOOLWTXFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00582198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.918

Distribution Coefficient, logD

2.918

Water Solubility, LogSw

-3.31

Polar Surface Area

29.598

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

1013-0043 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1013-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1013-0043?
Check Price and Availability of 1013-0043, 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 1013-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1013-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1013-0043
  • 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 1013-0043 available by request