V005-0449 Screening compound: 5-[4-(furan-2-amido)-2-{[(furan-2-yl)methyl]sulfamoyl}phenoxy]-4-methyl-1-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid

V005-0449 Screening compound: 5-[4-(furan-2-amido)-2-{[(furan-2-yl)methyl]sulfamoyl}phenoxy]-4-methyl-1-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid
V005-0449 Screening compound: 5-[4-(furan-2-amido)-2-{[(furan-2-yl)methyl]sulfamoyl}phenoxy]-4-methyl-1-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-0449
5-[4-(furan-2-amido)-2-{[(furan-2-yl)methyl]sulfamoyl}phenoxy]-4-methyl-1-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid

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

V005-0449

Molecular Formula

C28H24N4O8S (C28 H24 N4 O8 S)

Compound Name

5-[4-(furan-2-amido)-2-{[(furan-2-yl)methyl]sulfamoyl}phenoxy]-4-methyl-1-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid

IUPAC name

5-[4-(furan-2-amido)-2-{[(furan-2-yl)methyl]sulfamoyl}phenoxy]-4-methyl-1-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid

SMILES

Cc(c(C(O)=O)nn1-c2c(C)cccc2)c1Oc(ccc(NC(c1ccco1)=O)c1)c1S(NCc1ccco1)(=O)=O

InChI

InChI=1S/C28H24N4O8S/c1-17-7-3-4-9-21(17)32-27(18(2)25(31-32)28(34)35)40-22-12-11-19(30-26(33)23-10-6-14-39-23)15-24(22)41(36,37)29-16-20-8-5-13-38-20/h3-15,29H,16H2,1-2H3,(H,30,33)(H,34,35)

InChI Key

OMGKDZFFZMYBGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19794180

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

576.59

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.255

Distribution Coefficient, logD

-0.261

Water Solubility, LogSw

-4.25

Polar Surface Area

130.484

Acid Dissociation Constant (pKa)

2.88

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

V005-0449 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V005-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-0449?
Check Price and Availability of V005-0449, 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 V005-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-0449
  • 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 V005-0449 available by request