V011-3717 Screening compound: 4-{3-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}morpholine

V011-3717 Screening compound: 4-{3-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}morpholine
V011-3717 Screening compound: 4-{3-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-3717
4-{3-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}morpholine

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

V011-3717

Molecular Formula

C24H27N3O5S2 (C24 H27 N3 O5 S2)

Compound Name

4-{3-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}morpholine

IUPAC name

4-{3-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-4-methoxybenzenesulfonyl}morpholine

SMILES

COc(ccc(S(N1CCOCC1)(=O)=O)c1)c1N(CC1)CCN1C(c1cc(cccc2)c2s1)=O

InChI

InChI=1S/C24H27N3O5S2/c1-31-21-7-6-19(34(29,30)27-12-14-32-15-13-27)17-20(21)25-8-10-26(11-9-25)24(28)23-16-18-4-2-3-5-22(18)33-23/h2-7,16-17H,8-15H2,1H3

InChI Key

ZOKLRZZGMQIFAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950427

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

501.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.840

Distribution Coefficient, logD

3.840

Water Solubility, LogSw

-4.06

Polar Surface Area

67.843

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

V011-3717 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 V011-3717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-3717?
Check Price and Availability of V011-3717, 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 V011-3717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-3717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-3717
  • 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 V011-3717 available by request