D233-0016 Screening compound: 5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

D233-0016 Screening compound: 5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
D233-0016 Screening compound: 5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D233-0016
5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}-N-[2-(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

D233-0016

Molecular Formula

C19H12ClF4N3OS (C19 H12 ClF4 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(nc(nc1)SCc(cc2)ccc2F)c1Cl)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C19H12ClF4N3OS/c20-14-9-25-18(29-10-11-5-7-12(21)8-6-11)27-16(14)17(28)26-15-4-2-1-3-13(15)19(22,23)24/h1-9H,10H2,(H,26,28)

InChI Key

DDIDUPCXPDRVHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07426631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.84

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

5.287

Distribution Coefficient, logD

5.285

Water Solubility, LogSw

-5.80

Polar Surface Area

40.946

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with D233-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D233-0016?
Check Price and Availability of D233-0016, 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 D233-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D233-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D233-0016
  • 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 D233-0016 available by request