V027-7139 Screening compound: 1-[4-({4-[(4-bromophenyl)(phenyl)methyl]piperazin-1-yl}sulfonyl)phenyl]ethan-1-one

V027-7139 Screening compound: 1-[4-({4-[(4-bromophenyl)(phenyl)methyl]piperazin-1-yl}sulfonyl)phenyl]ethan-1-one
V027-7139 Screening compound: 1-[4-({4-[(4-bromophenyl)(phenyl)methyl]piperazin-1-yl}sulfonyl)phenyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-7139
1-[4-({4-[(4-bromophenyl)(phenyl)methyl]piperazin-1-yl}sulfonyl)phenyl]ethan-1-one

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

V027-7139

Molecular Formula

C25H25BrN2O3S (C25 H25 BrN2 O3 S)

Compound Name

1-[4-({4-[(4-bromophenyl)(phenyl)methyl]piperazin-1-yl}sulfonyl)phenyl]ethan-1-one

IUPAC name

1-[4-({4-[(4-bromophenyl)(phenyl)methyl]piperazin-1-yl}sulfonyl)phenyl]ethan-1-one

SMILES

CC(c(cc1)ccc1S(N(CC1)CCN1C(c1ccccc1)c(cc1)ccc1Br)(=O)=O)=O

InChI

InChI=1S/C25H25BrN2O3S/c1-19(29)20-9-13-24(14-10-20)32(30,31)28-17-15-27(16-18-28)25(21-5-3-2-4-6-21)22-7-11-23(26)12-8-22/h2-14,25H,15-18H2,1H3/t25-/m0/s1

InChI Key

FRSKQUVFHBXOKD-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19963476

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

513.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.006

Distribution Coefficient, logD

5.005

Water Solubility, LogSw

-4.63

Polar Surface Area

48.337

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

V027-7139 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V027-7139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-7139?
Check Price and Availability of V027-7139, 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 V027-7139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-7139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-7139
  • 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 V027-7139 available by request