V001-0863 Screening compound: N-[(furan-2-yl)methyl]-4-methoxy-N-[(3-methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]benzene-1-sulfonamide

V001-0863 Screening compound: N-[(furan-2-yl)methyl]-4-methoxy-N-[(3-methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]benzene-1-sulfonamide
V001-0863 Screening compound: N-[(furan-2-yl)methyl]-4-methoxy-N-[(3-methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-0863
N-[(furan-2-yl)methyl]-4-methoxy-N-[(3-methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]benzene-1-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

V001-0863

Molecular Formula

C29H27N3O5S (C29 H27 N3 O5 S)

Compound Name

N-[(furan-2-yl)methyl]-4-methoxy-N-[(3-methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]benzene-1-sulfonamide

IUPAC name

N-[(furan-2-yl)methyl]-4-methoxy-N-[(3-methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]benzene-1-sulfonamide

SMILES

Cc(c(CN(Cc1ccco1)S(c(cc1)ccc1OC)(=O)=O)c1Oc2ccccc2)nn1-c1ccccc1

InChI

InChI=1S/C29H27N3O5S/c1-22-28(29(37-25-12-7-4-8-13-25)32(30-22)23-10-5-3-6-11-23)21-31(20-26-14-9-19-36-26)38(33,34)27-17-15-24(35-2)16-18-27/h3-19H,20-21H2,1-2H3

InChI Key

GMWBRIVGNLEILL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19814919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.823

Distribution Coefficient, logD

5.823

Water Solubility, LogSw

-5.71

Polar Surface Area

67.317

Acid Dissociation Constant (pKa)

22.03

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

V001-0863 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V001-0863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-0863?
Check Price and Availability of V001-0863, 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 V001-0863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-0863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-0863
  • 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 V001-0863 available by request