V002-0941 Screening compound: 4-(3-methoxyphenoxy)-2-{[(3-methylphenyl)methyl]sulfanyl}-6-(trifluoromethyl)pyrimidine

V002-0941 Screening compound: 4-(3-methoxyphenoxy)-2-{[(3-methylphenyl)methyl]sulfanyl}-6-(trifluoromethyl)pyrimidine
V002-0941 Screening compound: 4-(3-methoxyphenoxy)-2-{[(3-methylphenyl)methyl]sulfanyl}-6-(trifluoromethyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-0941
4-(3-methoxyphenoxy)-2-{[(3-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

V002-0941

Molecular Formula

C20H17F3N2O2S (C20 H17 F3 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CSc2nc(Oc3cc(OC)ccc3)cc(C(F)(F)F)n2)c1

InChI

InChI=1S/C20H17F3N2O2S/c1-13-5-3-6-14(9-13)12-28-19-24-17(20(21,22)23)11-18(25-19)27-16-8-4-7-15(10-16)26-2/h3-11H,12H2,1-2H3

InChI Key

YXVYWGWQUVWDDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19889611

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

406.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.155

Distribution Coefficient, logD

6.155

Water Solubility, LogSw

-5.66

Polar Surface Area

31.452

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V002-0941 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V002-0941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-0941?
Check Price and Availability of V002-0941, 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 V002-0941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-0941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-0941
  • 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 V002-0941 available by request