V030-3547 Screening compound: 5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(3-methylbutanamido)phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid

V030-3547 Screening compound: 5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(3-methylbutanamido)phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
V030-3547 Screening compound: 5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(3-methylbutanamido)phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-3547
5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(3-methylbutanamido)phenoxy}-4-methyl-1-(4-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

V030-3547

Molecular Formula

C29H37N5O6S (C29 H37 N5 O6 S)

Compound Name

5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(3-methylbutanamido)phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid

IUPAC name

5-{2-[(4-ethylpiperazin-1-yl)sulfonyl]-4-(3-methylbutanamido)phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid

SMILES

CCN(CC1)CCN1S(c(cc(cc1)NC(CC(C)C)=O)c1Oc1c(C)c(C(O)=O)nn1-c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C29H37N5O6S/c1-6-32-13-15-33(16-14-32)41(38,39)25-18-22(30-26(35)17-19(2)3)9-12-24(25)40-28-21(5)27(29(36)37)31-34(28)23-10-7-20(4)8-11-23/h7-12,18-19H,6,13-17H2,1-5H3,(H,30,35)(H,36,37)

InChI Key

BZYHLOFRLIMBOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499059

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

583.71

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.967

Distribution Coefficient, logD

-0.549

Water Solubility, LogSw

-3.94

Polar Surface Area

108.006

Acid Dissociation Constant (pKa)

2.88

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

V030-3547 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V030-3547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-3547?
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What is the minimum amount of V030-3547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-3547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-3547
  • 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 V030-3547 available by request