D233-0005 Screening compound: 5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)pyrimidine-4-carboxamide

D233-0005 Screening compound: 5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
D233-0005 Screening compound: 5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D233-0005
5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)pyrimidine-4-carboxamide

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

D233-0005

Molecular Formula

C19H15ClFN3O2S (C19 H15 ClFN3 O2 S)

Compound Name

5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)pyrimidine-4-carboxamide

IUPAC name

5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)pyrimidine-4-carboxamide

SMILES

COc(cccc1)c1NC(c(nc(nc1)SCc(cc2)ccc2F)c1Cl)=O

InChI

InChI=1S/C19H15ClFN3O2S/c1-26-16-5-3-2-4-15(16)23-18(25)17-14(20)10-22-19(24-17)27-11-12-6-8-13(21)9-7-12/h2-10H,11H2,1H3,(H,23,25)

InChI Key

OMEPUDUAKUQACL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07426643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.524

Distribution Coefficient, logD

4.495

Water Solubility, LogSw

-4.52

Polar Surface Area

48.576

Acid Dissociation Constant (pKa)

8.55

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D233-0005 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 D233-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D233-0005?
Check Price and Availability of D233-0005, 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 D233-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D233-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D233-0005
  • 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 D233-0005 available by request