3181-0251 Screening compound: 5-(aminocarbonyl)-3-chloro-6-oxo-1,6-dihydro-2-pyridinecarboxylic acid

3181-0251 Screening compound: 5-(aminocarbonyl)-3-chloro-6-oxo-1,6-dihydro-2-pyridinecarboxylic acid
3181-0251 Screening compound: 5-(aminocarbonyl)-3-chloro-6-oxo-1,6-dihydro-2-pyridinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3181-0251
5-(aminocarbonyl)-3-chloro-6-oxo-1,6-dihydro-2-pyridinecarboxylic 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

3181-0251

Molecular Formula

C7H5ClN2O4 (C7 H5 ClN2 O4)

Compound Name

5-(aminocarbonyl)-3-chloro-6-oxo-1,6-dihydro-2-pyridinecarboxylic acid

IUPAC name

5-carbamoyl-3-chloro-6-oxo-16-dihydropyridine-2-carboxylic acid

SMILES

NC(C1=CC(Cl)=C(C(O)=O)NC1=O)=O

InChI

InChI=1S/C7H5ClN2O4/c8-3-1-2(5(9)11)6(12)10-4(3)7(13)14/h1H,(H2,9,11)(H,10,12)(H,13,14)

InChI Key

RLYRASSNLUDBCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00168629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

216.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-1.067

Distribution Coefficient, logD

-5.590

Water Solubility, LogSw

-1.74

Polar Surface Area

87.736

Acid Dissociation Constant (pKa)

2.88

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3181-0251 in Drug Discovery

Included in Screening Libraries

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

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3181-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3181-0251?
Check Price and Availability of 3181-0251, 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 3181-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3181-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3181-0251
  • 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 3181-0251 available by request