4401-0005 Screening compound: 5-(2,6-dichloro-4-nitrophenyl)furan-2-carboxylic acid

4401-0005 Screening compound: 5-(2,6-dichloro-4-nitrophenyl)furan-2-carboxylic acid
4401-0005 Screening compound: 5-(2,6-dichloro-4-nitrophenyl)furan-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4401-0005
5-(2,6-dichloro-4-nitrophenyl)furan-2-carboxylic acid

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

4401-0005

Molecular Formula

C11H5Cl2NO5 (C11 H5 Cl2 NO5)

Compound Name

5-(2,6-dichloro-4-nitrophenyl)furan-2-carboxylic acid

IUPAC name

5-(26-dichloro-4-nitrophenyl)furan-2-carboxylic acid

SMILES

[O-][N+](c1cc(Cl)c(-c2ccc(C(O)=O)o2)c(Cl)c1)=O

InChI

InChI=1S/C11H5Cl2NO5/c12-6-3-5(14(17)18)4-7(13)10(6)8-1-2-9(19-8)11(15)16/h1-4H,(H,15,16)

InChI Key

BFXJURJPVKFDPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01855026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.07

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.380

Distribution Coefficient, logD

-2.408

Water Solubility, LogSw

-3.84

Polar Surface Area

70.427

Acid Dissociation Constant (pKa)

1.61

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4401-0005 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4401-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4401-0005?
Check Price and Availability of 4401-0005, 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 4401-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4401-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4401-0005
  • 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 4401-0005 available by request