8018-0914 Screening compound: dimethyl 1-(2-chloro-3-pyridyl)-4-oxo-1,4-dihydro-3,5-pyridinedicarboxylate

8018-0914 Screening compound: dimethyl 1-(2-chloro-3-pyridyl)-4-oxo-1,4-dihydro-3,5-pyridinedicarboxylate
8018-0914 Screening compound: dimethyl 1-(2-chloro-3-pyridyl)-4-oxo-1,4-dihydro-3,5-pyridinedicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0914
dimethyl 1-(2-chloro-3-pyridyl)-4-oxo-1,4-dihydro-3,5-pyridinedicarboxylate

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

8018-0914

Molecular Formula

C14H11ClN2O5 (C14 H11 ClN2 O5)

Compound Name

dimethyl 1-(2-chloro-3-pyridyl)-4-oxo-1,4-dihydro-3,5-pyridinedicarboxylate

IUPAC name

35-dimethyl 2'-chloro-4-oxo-4H-[13'-bipyridine]-35-dicarboxylate

SMILES

COC(C(C(C(C(OC)=O)=C1)=O)=CN1c1cccnc1Cl)=O

InChI

InChI=1S/C14H11ClN2O5/c1-21-13(19)8-6-17(10-4-3-5-16-12(10)15)7-9(11(8)18)14(20)22-2/h3-7H,1-2H3

InChI Key

GCROMGYWJQSBSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.7

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.694

Distribution Coefficient, logD

0.694

Water Solubility, LogSw

-1.90

Polar Surface Area

67.799

Acid Dissociation Constant (pKa)

34.04

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

8018-0914 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-0914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0914?
Check Price and Availability of 8018-0914, 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 8018-0914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0914
  • 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 8018-0914 available by request