V027-9757 Screening compound: [2-({[4-BENZYL-5-(3-PYRIDYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}METHYL)PHENYL](4-METHYLPIPERAZINO)METHANONE

V027-9757 Screening compound: [2-({[4-BENZYL-5-(3-PYRIDYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}METHYL)PHENYL](4-METHYLPIPERAZINO)METHANONE
V027-9757 Screening compound: [2-({[4-BENZYL-5-(3-PYRIDYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}METHYL)PHENYL](4-METHYLPIPERAZINO)METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9757
[2-({[4-BENZYL-5-(3-PYRIDYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}METHYL)PHENYL](4-METHYLPIPERAZINO)METHANONE

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

V027-9757

Molecular Formula

C27H28N6OS (C27 H28 N6 OS)

Compound Name

[2-({[4-BENZYL-5-(3-PYRIDYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}METHYL)PHENYL](4-METHYLPIPERAZINO)METHANONE

IUPAC name

n/a

SMILES

CN(CC1)CCN1C(c1c(CSc2nnc(-c3cnccc3)n2Cc2ccccc2)cccc1)=O

InChI

InChI=1S/C27H28N6OS/c1-31-14-16-32(17-15-31)26(34)24-12-6-5-10-23(24)20-35-27-30-29-25(22-11-7-13-28-18-22)33(27)19-21-8-3-2-4-9-21/h2-13,18H,14-17,19-20H2,1H3

InChI Key

KSYNQONZMJZMQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27632466

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

484.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.203

Distribution Coefficient, logD

3.072

Water Solubility, LogSw

-3.17

Polar Surface Area

53.612

Acid Dissociation Constant (pKa)

17.51

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V027-9757 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V027-9757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9757?
Check Price and Availability of V027-9757, 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 V027-9757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9757
  • 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 V027-9757 available by request