V008-2186 Screening compound: N,N-diethyl-1-[(furan-2-yl)methyl]-2-({[6-(trifluoromethyl)pyridin-3-yl]methyl}sulfanyl)-1H-1,3-benzodiazole-5-sulfonamide

V008-2186 Screening compound: N,N-diethyl-1-[(furan-2-yl)methyl]-2-({[6-(trifluoromethyl)pyridin-3-yl]methyl}sulfanyl)-1H-1,3-benzodiazole-5-sulfonamide
V008-2186 Screening compound: N,N-diethyl-1-[(furan-2-yl)methyl]-2-({[6-(trifluoromethyl)pyridin-3-yl]methyl}sulfanyl)-1H-1,3-benzodiazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-2186
N,N-diethyl-1-[(furan-2-yl)methyl]-2-({[6-(trifluoromethyl)pyridin-3-yl]methyl}sulfanyl)-1H-1,3-benzodiazole-5-sulfonamide

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

V008-2186

Molecular Formula

C23H23F3N4O3S2 (C23 H23 F3 N4 O3 S2)

Compound Name

N,N-diethyl-1-[(furan-2-yl)methyl]-2-({[6-(trifluoromethyl)pyridin-3-yl]methyl}sulfanyl)-1H-1,3-benzodiazole-5-sulfonamide

IUPAC name

NN-diethyl-1-[(furan-2-yl)methyl]-2-({[6-(trifluoromethyl)pyridin-3-yl]methyl}sulfanyl)-1H-13-benzodiazole-5-sulfonamide

SMILES

CCN(CC)S(c(cc1)cc2c1n(Cc1ccco1)c(SCc1cnc(C(F)(F)F)cc1)n2)(=O)=O

InChI

InChI=1S/C23H23F3N4O3S2/c1-3-29(4-2)35(31,32)18-8-9-20-19(12-18)28-22(30(20)14-17-6-5-11-33-17)34-15-16-7-10-21(27-13-16)23(24,25)26/h5-13H,3-4,14-15H2,1-2H3

InChI Key

XNYMRQYVHAUODB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960320

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

524.59

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

4.996

Distribution Coefficient, logD

4.972

Water Solubility, LogSw

-4.65

Polar Surface Area

58.460

Acid Dissociation Constant (pKa)

21.77

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

V008-2186 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 V008-2186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-2186?
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What is the minimum amount of V008-2186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-2186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-2186
  • 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 V008-2186 available by request