V025-5531 Screening compound: 1,4-dimethyl-5-{2-[(4-methylpiperazin-1-yl)sulfonyl]-4-(thiophene-2-amido)phenoxy}-1H-pyrazole-3-carboxylic acid

V025-5531 Screening compound: 1,4-dimethyl-5-{2-[(4-methylpiperazin-1-yl)sulfonyl]-4-(thiophene-2-amido)phenoxy}-1H-pyrazole-3-carboxylic acid
V025-5531 Screening compound: 1,4-dimethyl-5-{2-[(4-methylpiperazin-1-yl)sulfonyl]-4-(thiophene-2-amido)phenoxy}-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-5531
1,4-dimethyl-5-{2-[(4-methylpiperazin-1-yl)sulfonyl]-4-(thiophene-2-amido)phenoxy}-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

V025-5531

Molecular Formula

C22H25N5O6S2 (C22 H25 N5 O6 S2)

Compound Name

1,4-dimethyl-5-{2-[(4-methylpiperazin-1-yl)sulfonyl]-4-(thiophene-2-amido)phenoxy}-1H-pyrazole-3-carboxylic acid

IUPAC name

14-dimethyl-5-{2-[(4-methylpiperazin-1-yl)sulfonyl]-4-(thiophene-2-amido)phenoxy}-1H-pyrazole-3-carboxylic acid

SMILES

Cc(c(C(O)=O)nn1C)c1Oc(ccc(NC(c1cccs1)=O)c1)c1S(N1CCN(C)CC1)(=O)=O

InChI

InChI=1S/C22H25N5O6S2/c1-14-19(22(29)30)24-26(3)21(14)33-16-7-6-15(23-20(28)17-5-4-12-34-17)13-18(16)35(31,32)27-10-8-25(2)9-11-27/h4-7,12-13H,8-11H2,1-3H3,(H,23,28)(H,29,30)

InChI Key

XGGCATFKTXPPBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19790395

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

519.6

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.423

Distribution Coefficient, logD

-1.289

Water Solubility, LogSw

-2.57

Polar Surface Area

109.327

Acid Dissociation Constant (pKa)

4.69

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

V025-5531 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)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V025-5531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-5531?
Check Price and Availability of V025-5531, 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 V025-5531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-5531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-5531
  • 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 V025-5531 available by request