V006-9840 Screening compound: 5-{[4-(methylsulfanyl)phenyl]methoxy}-2-[(4-{1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl}piperazin-1-yl)methyl]-4H-pyran-4-one

V006-9840 Screening compound: 5-{[4-(methylsulfanyl)phenyl]methoxy}-2-[(4-{1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl}piperazin-1-yl)methyl]-4H-pyran-4-one
V006-9840 Screening compound: 5-{[4-(methylsulfanyl)phenyl]methoxy}-2-[(4-{1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl}piperazin-1-yl)methyl]-4H-pyran-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-9840
5-{[4-(methylsulfanyl)phenyl]methoxy}-2-[(4-{1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl}piperazin-1-yl)methyl]-4H-pyran-4-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

V006-9840

Molecular Formula

C29H32F3N5O4S (C29 H32 F3 N5 O4 S)

Compound Name

5-{[4-(methylsulfanyl)phenyl]methoxy}-2-[(4-{1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl}piperazin-1-yl)methyl]-4H-pyran-4-one

IUPAC name

5-{[4-(methylsulfanyl)phenyl]methoxy}-2-[(4-{1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl}piperazin-1-yl)methyl]-4H-pyran-4-one

SMILES

CSc1ccc(COC2=COC(CN(CC3)CCN3C(C(CC3)CCN3c3nc(C(F)(F)F)ccn3)=O)=CC2=O)cc1

InChI

InChI=1S/C29H32F3N5O4S/c1-42-23-4-2-20(3-5-23)18-41-25-19-40-22(16-24(25)38)17-35-12-14-36(15-13-35)27(39)21-7-10-37(11-8-21)28-33-9-6-26(34-28)29(30,31)32/h2-6,9,16,19,21H,7-8,10-15,17-18H2,1H3

InChI Key

WOVUNXHHMPHJJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19966231

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

603.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.848

Distribution Coefficient, logD

3.847

Water Solubility, LogSw

-3.93

Polar Surface Area

71.722

Acid Dissociation Constant (pKa)

19.29

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

V006-9840 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V006-9840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-9840?
Check Price and Availability of V006-9840, 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 V006-9840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-9840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-9840
  • 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 V006-9840 available by request