V017-4020 Screening compound: 5-{4-(isobutyrylamino)-2-[(4-methylpiperazino)sulfonyl]phenoxy}-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid

V017-4020 Screening compound: 5-{4-(isobutyrylamino)-2-[(4-methylpiperazino)sulfonyl]phenoxy}-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
V017-4020 Screening compound: 5-{4-(isobutyrylamino)-2-[(4-methylpiperazino)sulfonyl]phenoxy}-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-4020
5-{4-(isobutyrylamino)-2-[(4-methylpiperazino)sulfonyl]phenoxy}-4-methyl-1-phenyl-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

V017-4020

Molecular Formula

C26H31N5O6S (C26 H31 N5 O6 S)

Compound Name

5-{4-(isobutyrylamino)-2-[(4-methylpiperazino)sulfonyl]phenoxy}-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid

IUPAC name

4-methyl-5-{2-[(4-methylpiperazin-1-yl)sulfonyl]-4-(2-methylpropanamido)phenoxy}-1-phenyl-1H-pyrazole-3-carboxylic acid

SMILES

CC(C)C(Nc(cc1)cc(S(N2CCN(C)CC2)(=O)=O)c1Oc1c(C)c(C(O)=O)nn1-c1ccccc1)=O

InChI

InChI=1S/C26H31N5O6S/c1-17(2)24(32)27-19-10-11-21(22(16-19)38(35,36)30-14-12-29(4)13-15-30)37-25-18(3)23(26(33)34)28-31(25)20-8-6-5-7-9-20/h5-11,16-17H,12-15H2,1-4H3,(H,27,32)(H,33,34)

InChI Key

UDGGOQMDRAIUQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19792019

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

541.63

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.620

Distribution Coefficient, logD

-1.896

Water Solubility, LogSw

-3.18

Polar Surface Area

108.159

Acid Dissociation Constant (pKa)

2.88

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.62

V017-4020 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V017-4020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-4020?
Check Price and Availability of V017-4020, 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 V017-4020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4020
  • 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 V017-4020 available by request