V002-1004 Screening compound: 4-(3-chlorophenoxy)-2-{[(2-methylphenyl)methyl]sulfanyl}-6-(trifluoromethyl)pyrimidine

V002-1004 Screening compound: 4-(3-chlorophenoxy)-2-{[(2-methylphenyl)methyl]sulfanyl}-6-(trifluoromethyl)pyrimidine
V002-1004 Screening compound: 4-(3-chlorophenoxy)-2-{[(2-methylphenyl)methyl]sulfanyl}-6-(trifluoromethyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1004
4-(3-chlorophenoxy)-2-{[(2-methylphenyl)methyl]sulfanyl}-6-(trifluoromethyl)pyrimidine

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

V002-1004

Molecular Formula

C19H14ClF3N2OS (C19 H14 ClF3 N2 OS)

Compound Name

4-(3-chlorophenoxy)-2-{[(2-methylphenyl)methyl]sulfanyl}-6-(trifluoromethyl)pyrimidine

IUPAC name

4-(3-chlorophenoxy)-2-{[(2-methylphenyl)methyl]sulfanyl}-6-(trifluoromethyl)pyrimidine

SMILES

Cc1c(CSc2nc(C(F)(F)F)cc(Oc3cccc(Cl)c3)n2)cccc1

InChI

InChI=1S/C19H14ClF3N2OS/c1-12-5-2-3-6-13(12)11-27-18-24-16(19(21,22)23)10-17(25-18)26-15-8-4-7-14(20)9-15/h2-10H,11H2,1H3

InChI Key

QSTWGCKLSUNMCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19889655

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

410.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.057

Distribution Coefficient, logD

7.057

Water Solubility, LogSw

-6.42

Polar Surface Area

23.908

Acid Dissociation Constant (pKa)

21.65

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with V002-1004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1004?
Check Price and Availability of V002-1004, 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 V002-1004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1004
  • 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 V002-1004 available by request