C200-1691 Screening compound: methyl 2-[2,4-dioxo-1-[2-oxo-2-(3-toluidino)ethyl]-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl]nicotinate

C200-1691 Screening compound: methyl 2-[2,4-dioxo-1-[2-oxo-2-(3-toluidino)ethyl]-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl]nicotinate
C200-1691 Screening compound: methyl 2-[2,4-dioxo-1-[2-oxo-2-(3-toluidino)ethyl]-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl]nicotinate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1691
methyl 2-[2,4-dioxo-1-[2-oxo-2-(3-toluidino)ethyl]-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl]nicotinate

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

C200-1691

Molecular Formula

C23H19N5O5 (C23 H19 N5 O5)

Compound Name

methyl 2-[2,4-dioxo-1-[2-oxo-2-(3-toluidino)ethyl]-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl]nicotinate

IUPAC name

methyl 2-(1-{[(3-methylphenyl)carbamoyl]methyl}-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-3-yl)pyridine-3-carboxylate

SMILES

Cc1cccc(NC(CN(c(nccc2)c2C(N2c3ncccc3C(OC)=O)=O)C2=O)=O)c1

InChI

InChI=1S/C23H19N5O5/c1-14-6-3-7-15(12-14)26-18(29)13-27-19-16(8-4-10-24-19)21(30)28(23(27)32)20-17(22(31)33-2)9-5-11-25-20/h3-12H,13H2,1-2H3,(H,26,29)

InChI Key

JHHFZURMCKMMLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.435

Distribution Coefficient, logD

2.435

Water Solubility, LogSw

-2.93

Polar Surface Area

94.290

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.04

C200-1691 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C200-1691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1691?
Check Price and Availability of C200-1691, 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 C200-1691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1691
  • 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 C200-1691 available by request