V020-5701 Screening compound: 4-[4-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine

V020-5701 Screening compound: 4-[4-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine
V020-5701 Screening compound: 4-[4-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-5701
4-[4-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine

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

V020-5701

Molecular Formula

C26H25N5O2S (C26 H25 N5 O2 S)

Compound Name

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

IUPAC name

4-[4-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine

SMILES

Cc(cc1)ccc1-n1c(SCc(cc2)ccc2C(N2CCOCC2)=O)nnc1-c1cnccc1

InChI

InChI=1S/C26H25N5O2S/c1-19-4-10-23(11-5-19)31-24(22-3-2-12-27-17-22)28-29-26(31)34-18-20-6-8-21(9-7-20)25(32)30-13-15-33-16-14-30/h2-12,17H,13-16,18H2,1H3

InChI Key

XGVUGDQCFBOZKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19781979

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.808

Distribution Coefficient, logD

2.804

Water Solubility, LogSw

-2.76

Polar Surface Area

58.787

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V020-5701 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V020-5701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-5701?
Check Price and Availability of V020-5701, 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 V020-5701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-5701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-5701
  • 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 V020-5701 available by request