4226-3222 Screening compound: 2-({4-hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)-1-[4-(propan-2-yl)phenyl]ethan-1-one

4226-3222 Screening compound: 2-({4-hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)-1-[4-(propan-2-yl)phenyl]ethan-1-one
4226-3222 Screening compound: 2-({4-hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)-1-[4-(propan-2-yl)phenyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4226-3222
2-({4-hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)-1-[4-(propan-2-yl)phenyl]ethan-1-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

4226-3222

Molecular Formula

C20H21N3O2S (C20 H21 N3 O2 S)

Compound Name

2-({4-hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)-1-[4-(propan-2-yl)phenyl]ethan-1-one

IUPAC name

2-({4-hydroxy-57-dimethylpyrido[23-d]pyrimidin-2-yl}sulfanyl)-1-[4-(propan-2-yl)phenyl]ethan-1-one

SMILES

CC(C)c(cc1)ccc1C(CSc1nc2nc(C)cc(C)c2c(O)n1)=O

InChI

InChI=1S/C20H21N3O2S/c1-11(2)14-5-7-15(8-6-14)16(24)10-26-20-22-18-17(19(25)23-20)12(3)9-13(4)21-18/h5-9,11H,10H2,1-4H3,(H,21,22,23,25)

InChI Key

OEIYEETXSDPKFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02366448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.523

Distribution Coefficient, logD

4.389

Water Solubility, LogSw

-4.39

Polar Surface Area

56.931

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

4226-3222 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 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
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 4226-3222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4226-3222?
Check Price and Availability of 4226-3222, 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 4226-3222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4226-3222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4226-3222
  • 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 4226-3222 available by request