V031-0728 Screening compound: 1-[(3-chloro-2-methylphenyl)sulfonyl]-4-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)piperazine

V031-0728 Screening compound: 1-[(3-chloro-2-methylphenyl)sulfonyl]-4-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)piperazine
V031-0728 Screening compound: 1-[(3-chloro-2-methylphenyl)sulfonyl]-4-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0728
1-[(3-chloro-2-methylphenyl)sulfonyl]-4-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)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

V031-0728

Molecular Formula

C26H27ClN2O2S (C26 H27 ClN2 O2 S)

Compound Name

1-[(3-chloro-2-methylphenyl)sulfonyl]-4-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)piperazine

IUPAC name

1-(3-chloro-2-methylbenzenesulfonyl)-4-{tricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-2-yl}piperazine

SMILES

Cc(c(S(N(CC1)CCN1C(c1c(CC2)cccc1)c1c2cccc1)(=O)=O)ccc1)c1Cl

InChI

InChI=1S/C26H27ClN2O2S/c1-19-24(27)11-6-12-25(19)32(30,31)29-17-15-28(16-18-29)26-22-9-4-2-7-20(22)13-14-21-8-3-5-10-23(21)26/h2-12,26H,13-18H2,1H3

InChI Key

PUHSOBIUEOCBBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19963504

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

467.03

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.293

Distribution Coefficient, logD

6.293

Water Solubility, LogSw

-6.22

Polar Surface Area

33.761

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

V031-0728 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V031-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0728?
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What is the minimum amount of V031-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0728
  • 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 V031-0728 available by request