V003-1912 Screening compound: 1-{5-[(4-benzylpiperidin-1-yl)sulfonyl]-2-methoxyphenyl}-4-(2,5-dimethoxybenzenesulfonyl)piperazine

V003-1912 Screening compound: 1-{5-[(4-benzylpiperidin-1-yl)sulfonyl]-2-methoxyphenyl}-4-(2,5-dimethoxybenzenesulfonyl)piperazine
V003-1912 Screening compound: 1-{5-[(4-benzylpiperidin-1-yl)sulfonyl]-2-methoxyphenyl}-4-(2,5-dimethoxybenzenesulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-1912
1-{5-[(4-benzylpiperidin-1-yl)sulfonyl]-2-methoxyphenyl}-4-(2,5-dimethoxybenzenesulfonyl)piperazine

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

V003-1912

Molecular Formula

C31H39N3O7S2 (C31 H39 N3 O7 S2)

Compound Name

1-{5-[(4-benzylpiperidin-1-yl)sulfonyl]-2-methoxyphenyl}-4-(2,5-dimethoxybenzenesulfonyl)piperazine

IUPAC name

1-{5-[(4-benzylpiperidin-1-yl)sulfonyl]-2-methoxyphenyl}-4-(25-dimethoxybenzenesulfonyl)piperazine

SMILES

COc(cc1)cc(S(N(CC2)CCN2c(cc(cc2)S(N3CCC(Cc4ccccc4)CC3)(=O)=O)c2OC)(=O)=O)c1OC

InChI

InChI=1S/C31H39N3O7S2/c1-39-26-9-11-30(41-3)31(22-26)43(37,38)34-19-17-32(18-20-34)28-23-27(10-12-29(28)40-2)42(35,36)33-15-13-25(14-16-33)21-24-7-5-4-6-8-24/h4-12,22-23,25H,13-21H2,1-3H3

InChI Key

NMABQZAAYKVGBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950291

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

629.8

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.471

Distribution Coefficient, logD

5.471

Water Solubility, LogSw

-5.61

Polar Surface Area

89.153

Acid Dissociation Constant (pKa)

25.46

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

V003-1912 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V003-1912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-1912?
Check Price and Availability of V003-1912, 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 V003-1912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-1912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-1912
  • 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 V003-1912 available by request