V006-3669 Screening compound: 2-[(4-{2-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)methyl]-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one

V006-3669 Screening compound: 2-[(4-{2-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)methyl]-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
V006-3669 Screening compound: 2-[(4-{2-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)methyl]-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-3669
2-[(4-{2-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)methyl]-5-{[4-(trifluoromethyl)phenyl]methoxy}-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

V006-3669

Molecular Formula

C30H25ClF3N3O4S (C30 H25 ClF3 N3 O4 S)

Compound Name

2-[(4-{2-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)methyl]-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one

IUPAC name

2-[(4-{2-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonyl}piperazin-1-yl)methyl]-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one

SMILES

O=C(c1cccnc1Sc(cc1)ccc1Cl)N1CCN(CC(OC=C2OCc3ccc(C(F)(F)F)cc3)=CC2=O)CC1

InChI

InChI=1S/C30H25ClF3N3O4S/c31-22-7-9-24(10-8-22)42-28-25(2-1-11-35-28)29(39)37-14-12-36(13-15-37)17-23-16-26(38)27(19-40-23)41-18-20-3-5-21(6-4-20)30(32,33)34/h1-11,16,19H,12-15,17-18H2

InChI Key

RBKVPUHMEMJHME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19966267

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

616.06

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.143

Distribution Coefficient, logD

5.143

Water Solubility, LogSw

-5.69

Polar Surface Area

59.247

Acid Dissociation Constant (pKa)

28.02

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

V006-3669 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V006-3669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-3669?
Check Price and Availability of V006-3669, 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 V006-3669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-3669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-3669
  • 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 V006-3669 available by request