K256-0098 Screening compound: 2-methoxy-N~1~-[4-oxo-2-thioxo-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl]benzamide

K256-0098 Screening compound: 2-methoxy-N~1~-[4-oxo-2-thioxo-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl]benzamide
K256-0098 Screening compound: 2-methoxy-N~1~-[4-oxo-2-thioxo-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K256-0098
2-methoxy-N~1~-[4-oxo-2-thioxo-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl]benzamide

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

K256-0098

Molecular Formula

C15H12N4O3S (C15 H12 N4 O3 S)

Compound Name

2-methoxy-N~1~-[4-oxo-2-thioxo-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl]benzamide

IUPAC name

2-methoxy-N-{4-oxo-2-sulfanylidene-1H2H3H4H-pyrido[23-d]pyrimidin-3-yl}benzamide

SMILES

COc(cccc1)c1C(NN(C(c1c(N2)nccc1)=O)C2=S)=O

InChI

InChI=1S/C15H12N4O3S/c1-22-11-7-3-2-5-9(11)13(20)18-19-14(21)10-6-4-8-16-12(10)17-15(19)23/h2-8H,1H3,(H,18,20)(H,16,17,23)

InChI Key

GXQNXVNEFCFKFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.831

Distribution Coefficient, logD

-3.490

Water Solubility, LogSw

-2.33

Polar Surface Area

70.973

Acid Dissociation Constant (pKa)

4.04

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

K256-0098 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K256-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K256-0098?
Check Price and Availability of K256-0098, 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 K256-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K256-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K256-0098
  • 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 K256-0098 available by request