V026-7465 Screening compound: 1-[2-({[4-benzyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine

V026-7465 Screening compound: 1-[2-({[4-benzyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine
V026-7465 Screening compound: 1-[2-({[4-benzyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]-4-ethylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-7465
1-[2-({[4-benzyl-5-(propan-2-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

V026-7465

Molecular Formula

C26H33N5OS (C26 H33 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)CCN1C(c1c(CSc2nnc(C(C)C)n2Cc2ccccc2)cccc1)=O

InChI

InChI=1S/C26H33N5OS/c1-4-29-14-16-30(17-15-29)25(32)23-13-9-8-12-22(23)19-33-26-28-27-24(20(2)3)31(26)18-21-10-6-5-7-11-21/h5-13,20H,4,14-19H2,1-3H3

InChI Key

DMZKXZMXWRGPHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27631963

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

463.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.189

Distribution Coefficient, logD

4.012

Water Solubility, LogSw

-4.07

Polar Surface Area

44.426

Acid Dissociation Constant (pKa)

20.18

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

V026-7465 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 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 V026-7465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-7465?
Check Price and Availability of V026-7465, 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 V026-7465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-7465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-7465
  • 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 V026-7465 available by request