V030-0076 Screening compound: 5-[4-(2H-1,3-benzodioxole-5-amido)-2-(cyclopropylsulfamoyl)phenoxy]-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid

V030-0076 Screening compound: 5-[4-(2H-1,3-benzodioxole-5-amido)-2-(cyclopropylsulfamoyl)phenoxy]-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid
V030-0076 Screening compound: 5-[4-(2H-1,3-benzodioxole-5-amido)-2-(cyclopropylsulfamoyl)phenoxy]-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-0076
5-[4-(2H-1,3-benzodioxole-5-amido)-2-(cyclopropylsulfamoyl)phenoxy]-1-tert-butyl-4-methyl-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

V030-0076

Molecular Formula

C26H28N4O8S (C26 H28 N4 O8 S)

Compound Name

5-[4-(2H-1,3-benzodioxole-5-amido)-2-(cyclopropylsulfamoyl)phenoxy]-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid

IUPAC name

5-[4-(2H-13-benzodioxole-5-amido)-2-(cyclopropylsulfamoyl)phenoxy]-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid

SMILES

CC(C)(C)n1nc(C(O)=O)c(C)c1Oc(ccc(NC(c(cc1)cc2c1OCO2)=O)c1)c1S(NC1CC1)(=O)=O

InChI

InChI=1S/C26H28N4O8S/c1-14-22(25(32)33)28-30(26(2,3)4)24(14)38-19-10-8-17(12-21(19)39(34,35)29-16-6-7-16)27-23(31)15-5-9-18-20(11-15)37-13-36-18/h5,8-12,16,29H,6-7,13H2,1-4H3,(H,27,31)(H,32,33)

InChI Key

YMLMECYYVPJRJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499536

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

556.6

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.277

Distribution Coefficient, logD

0.564

Water Solubility, LogSw

-3.67

Polar Surface Area

132.810

Acid Dissociation Constant (pKa)

4.69

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

V030-0076 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V030-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-0076?
Check Price and Availability of V030-0076, 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 V030-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-0076
  • 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 V030-0076 available by request