V006-0933 Screening compound: 1-(4-{[6-(propan-2-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidin-4-yl]oxy}phenyl)ethan-1-one

V006-0933 Screening compound: 1-(4-{[6-(propan-2-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidin-4-yl]oxy}phenyl)ethan-1-one
V006-0933 Screening compound: 1-(4-{[6-(propan-2-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidin-4-yl]oxy}phenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0933
1-(4-{[6-(propan-2-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidin-4-yl]oxy}phenyl)ethan-1-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

V006-0933

Molecular Formula

C23H21F3N2O2S (C23 H21 F3 N2 O2 S)

Compound Name

1-(4-{[6-(propan-2-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidin-4-yl]oxy}phenyl)ethan-1-one

IUPAC name

1-(4-{[6-(propan-2-yl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidin-4-yl]oxy}phenyl)ethan-1-one

SMILES

CC(C)c1nc(SCc2ccc(C(F)(F)F)cc2)nc(Oc(cc2)ccc2C(C)=O)c1

InChI

InChI=1S/C23H21F3N2O2S/c1-14(2)20-12-21(30-19-10-6-17(7-11-19)15(3)29)28-22(27-20)31-13-16-4-8-18(9-5-16)23(24,25)26/h4-12,14H,13H2,1-3H3

InChI Key

ZAIKOTQCMSJHCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19888968

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

446.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.014

Distribution Coefficient, logD

6.014

Water Solubility, LogSw

-5.50

Polar Surface Area

37.735

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

V006-0933 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V006-0933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0933?
Check Price and Availability of V006-0933, 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 V006-0933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0933
  • 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 V006-0933 available by request