V013-9491 Screening compound: 5-methanesulfonamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzene-1-sulfonamide

V013-9491 Screening compound: 5-methanesulfonamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzene-1-sulfonamide
V013-9491 Screening compound: 5-methanesulfonamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9491
5-methanesulfonamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzene-1-sulfonamide

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

V013-9491

Molecular Formula

C26H32N4O5S2 (C26 H32 N4 O5 S2)

Compound Name

5-methanesulfonamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzene-1-sulfonamide

IUPAC name

5-methanesulfonamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzene-1-sulfonamide

SMILES

CC(c1ccccc1)NS(c(cc(cc1)NS(C)(=O)=O)c1N(CC1)CCN1c(cccc1)c1OC)(=O)=O

InChI

InChI=1S/C26H32N4O5S2/c1-20(21-9-5-4-6-10-21)27-37(33,34)26-19-22(28-36(3,31)32)13-14-24(26)30-17-15-29(16-18-30)23-11-7-8-12-25(23)35-2/h4-14,19-20,27-28H,15-18H2,1-3H3/t20-/m0/s1

InChI Key

VODQKMCIHGOJBX-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19972821

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

544.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.879

Distribution Coefficient, logD

3.582

Water Solubility, LogSw

-3.98

Polar Surface Area

96.982

Acid Dissociation Constant (pKa)

7.41

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

V013-9491 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V013-9491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9491?
Check Price and Availability of V013-9491, 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 V013-9491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9491
  • 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 V013-9491 available by request