C679-2430 Screening compound: 3-phenyl-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C679-2430 Screening compound: 3-phenyl-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
C679-2430 Screening compound: 3-phenyl-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-2430
3-phenyl-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

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

C679-2430

Molecular Formula

C20H13F3N2O2S (C20 H13 F3 N2 O2 S)

Compound Name

3-phenyl-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

IUPAC name

3-phenyl-7-{[3-(trifluoromethyl)phenoxy]methyl}-5H-[13]thiazolo[32-a]pyrimidin-5-one

SMILES

O=C1N(C(c2ccccc2)=CS2)C2=NC(COc2cc(C(F)(F)F)ccc2)=C1

InChI

InChI=1S/C20H13F3N2O2S/c21-20(22,23)14-7-4-8-16(9-14)27-11-15-10-18(26)25-17(12-28-19(25)24-15)13-5-2-1-3-6-13/h1-10,12H,11H2

InChI Key

SGDQETQOTMHUKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.366

Distribution Coefficient, logD

4.366

Water Solubility, LogSw

-4.54

Polar Surface Area

33.223

Acid Dissociation Constant (pKa)

28.70

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C679-2430 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 C679-2430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-2430?
Check Price and Availability of C679-2430, 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 C679-2430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-2430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-2430
  • 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 C679-2430 available by request