D233-0139 Screening compound: 5-chloro-2-(prop-2-en-1-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

D233-0139 Screening compound: 5-chloro-2-(prop-2-en-1-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
D233-0139 Screening compound: 5-chloro-2-(prop-2-en-1-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D233-0139
5-chloro-2-(prop-2-en-1-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]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

D233-0139

Molecular Formula

C15H11ClF3N3OS (C15 H11 ClF3 N3 OS)

Compound Name

5-chloro-2-(prop-2-en-1-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

IUPAC name

5-chloro-2-(prop-2-en-1-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

SMILES

C=CCSc(nc1)nc(C(Nc2cc(C(F)(F)F)ccc2)=O)c1Cl

InChI

InChI=1S/C15H11ClF3N3OS/c1-2-6-24-14-20-8-11(16)12(22-14)13(23)21-10-5-3-4-9(7-10)15(17,18)19/h2-5,7-8H,1,6H2,(H,21,23)

InChI Key

GDMBHTGLIIRUTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07427139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.040

Distribution Coefficient, logD

4.825

Water Solubility, LogSw

-5.36

Polar Surface Area

41.915

Acid Dissociation Constant (pKa)

7.59

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

D233-0139 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D233-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D233-0139?
Check Price and Availability of D233-0139, 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 D233-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D233-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D233-0139
  • 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 D233-0139 available by request