D233-0279 Screening compound: ethyl 4-[5-chloro-2-(propan-2-ylsulfanyl)pyrimidine-4-amido]benzoate

D233-0279 Screening compound: ethyl 4-[5-chloro-2-(propan-2-ylsulfanyl)pyrimidine-4-amido]benzoate
D233-0279 Screening compound: ethyl 4-[5-chloro-2-(propan-2-ylsulfanyl)pyrimidine-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D233-0279
ethyl 4-[5-chloro-2-(propan-2-ylsulfanyl)pyrimidine-4-amido]benzoate

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

D233-0279

Molecular Formula

C17H18ClN3O3S (C17 H18 ClN3 O3 S)

Compound Name

ethyl 4-[5-chloro-2-(propan-2-ylsulfanyl)pyrimidine-4-amido]benzoate

IUPAC name

ethyl 4-[5-chloro-2-(propan-2-ylsulfanyl)pyrimidine-4-amido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(nc(nc1)SC(C)C)c1Cl)=O)=O

InChI

InChI=1S/C17H18ClN3O3S/c1-4-24-16(23)11-5-7-12(8-6-11)20-15(22)14-13(18)9-19-17(21-14)25-10(2)3/h5-10H,4H2,1-3H3,(H,20,22)

InChI Key

CULHALPBKJHQMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07427608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.743

Distribution Coefficient, logD

4.693

Water Solubility, LogSw

-4.83

Polar Surface Area

62.669

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

-3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

D233-0279 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

SH2 Library (10483 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:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D233-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D233-0279?
Check Price and Availability of D233-0279, 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 D233-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D233-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D233-0279
  • 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 D233-0279 available by request