V005-5855 Screening compound: 2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-N,N-diethyl-1-[(furan-2-yl)methyl]-1H-1,3-benzodiazole-5-sulfonamide

V005-5855 Screening compound: 2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-N,N-diethyl-1-[(furan-2-yl)methyl]-1H-1,3-benzodiazole-5-sulfonamide
V005-5855 Screening compound: 2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-N,N-diethyl-1-[(furan-2-yl)methyl]-1H-1,3-benzodiazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-5855
2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-N,N-diethyl-1-[(furan-2-yl)methyl]-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

V005-5855

Molecular Formula

C25H29N3O5S2 (C25 H29 N3 O5 S2)

Compound Name

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

IUPAC name

2-{[(23-dimethoxyphenyl)methyl]sulfanyl}-NN-diethyl-1-[(furan-2-yl)methyl]-1H-13-benzodiazole-5-sulfonamide

SMILES

CCN(CC)S(c(cc1)cc2c1n(Cc1ccco1)c(SCc(cccc1OC)c1OC)n2)(=O)=O

InChI

InChI=1S/C25H29N3O5S2/c1-5-27(6-2)35(29,30)20-12-13-22-21(15-20)26-25(28(22)16-19-10-8-14-33-19)34-17-18-9-7-11-23(31-3)24(18)32-4/h7-15H,5-6,16-17H2,1-4H3

InChI Key

GREKVQHYTUSJET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960334

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

515.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.301

Distribution Coefficient, logD

5.292

Water Solubility, LogSw

-5.47

Polar Surface Area

64.670

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

V005-5855 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V005-5855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-5855?
Check Price and Availability of V005-5855, 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 V005-5855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-5855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-5855
  • 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 V005-5855 available by request