V008-6168 Screening compound: {4-[4-BROMO-5-METHYL-3-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-1H-PYRAZOL-1-YL]PHENYL}(1,4-THIAZINAN-4-YL)METHANONE

V008-6168 Screening compound: {4-[4-BROMO-5-METHYL-3-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-1H-PYRAZOL-1-YL]PHENYL}(1,4-THIAZINAN-4-YL)METHANONE
V008-6168 Screening compound: {4-[4-BROMO-5-METHYL-3-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-1H-PYRAZOL-1-YL]PHENYL}(1,4-THIAZINAN-4-YL)METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-6168
{4-[4-BROMO-5-METHYL-3-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-1H-PYRAZOL-1-YL]PHENYL}(1,4-THIAZINAN-4-YL)METHANONE

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

V008-6168

Molecular Formula

C18H18BrN5O2S (C18 H18 BrN5 O2 S)

Compound Name

{4-[4-BROMO-5-METHYL-3-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-1H-PYRAZOL-1-YL]PHENYL}(1,4-THIAZINAN-4-YL)METHANONE

IUPAC name

4-{4-[4-bromo-5-methyl-3-(5-methyl-134-oxadiazol-2-yl)-1H-pyrazol-1-yl]benzoyl}thiomorpholine

SMILES

Cc(n(-c(cc1)ccc1C(N1CCSCC1)=O)nc1-c2nnc(C)o2)c1Br

InChI

InChI=1S/C18H18BrN5O2S/c1-11-15(19)16(17-21-20-12(2)26-17)22-24(11)14-5-3-13(4-6-14)18(25)23-7-9-27-10-8-23/h3-6H,7-10H2,1-2H3

InChI Key

ZACYHIQOMMHNAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19948219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.855

Distribution Coefficient, logD

1.855

Water Solubility, LogSw

-2.22

Polar Surface Area

61.242

Acid Dissociation Constant (pKa)

26.26

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

V008-6168 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V008-6168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-6168?
Check Price and Availability of V008-6168, 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 V008-6168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-6168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-6168
  • 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 V008-6168 available by request