K256-0018 Screening compound: 3-[2-(diethylamino)ethyl]-2-sulfanylidene-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-4-one

K256-0018 Screening compound: 3-[2-(diethylamino)ethyl]-2-sulfanylidene-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-4-one
K256-0018 Screening compound: 3-[2-(diethylamino)ethyl]-2-sulfanylidene-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K256-0018
3-[2-(diethylamino)ethyl]-2-sulfanylidene-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-4-one

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

K256-0018

Molecular Formula

C13H18N4OS (C13 H18 N4 OS)

Compound Name

3-[2-(diethylamino)ethyl]-2-sulfanylidene-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-4-one

IUPAC name

3-[2-(diethylamino)ethyl]-2-sulfanylidene-1H2H3H4H-pyrido[23-d]pyrimidin-4-one

SMILES

CCN(CC)CCN(C(c1c(N2)nccc1)=O)C2=S

InChI

InChI=1S/C13H18N4OS/c1-3-16(4-2)8-9-17-12(18)10-6-5-7-14-11(10)15-13(17)19/h5-7H,3-4,8-9H2,1-2H3,(H,14,15,19)

InChI Key

GPVUSGXAIJKSKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.813

Distribution Coefficient, logD

0.366

Water Solubility, LogSw

-2.56

Polar Surface Area

40.603

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

K256-0018 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 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
  • Pool

References: we are preparing a list of scientific research reports with K256-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K256-0018?
Check Price and Availability of K256-0018, 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 K256-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K256-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K256-0018
  • 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 K256-0018 available by request