V015-0044 Screening compound: 1-[2-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine

V015-0044 Screening compound: 1-[2-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine
V015-0044 Screening compound: 1-[2-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-0044
1-[2-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine

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

V015-0044

Molecular Formula

C27H27ClN6OS (C27 H27 ClN6 OS)

Compound Name

1-[2-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine

IUPAC name

1-[2-({[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine

SMILES

CCN(CC1)CCN1C(c1c(CSc2nnc(-c3cnccc3)n2-c2cccc(Cl)c2)cccc1)=O

InChI

InChI=1S/C27H27ClN6OS/c1-2-32-13-15-33(16-14-32)26(35)24-11-4-3-7-21(24)19-36-27-31-30-25(20-8-6-12-29-18-20)34(27)23-10-5-9-22(28)17-23/h3-12,17-18H,2,13-16,19H2,1H3

InChI Key

DDNXMHKXRJRXAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27627860

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

519.07

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

3.950

Distribution Coefficient, logD

3.774

Water Solubility, LogSw

-4.25

Polar Surface Area

54.415

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V015-0044 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 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 V015-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-0044?
Check Price and Availability of V015-0044, 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 V015-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-0044
  • 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 V015-0044 available by request