V026-7536 Screening compound: 4-[2-({[5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine

V026-7536 Screening compound: 4-[2-({[5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine
V026-7536 Screening compound: 4-[2-({[5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-7536
4-[2-({[5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-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

V026-7536

Molecular Formula

C26H22F3N5O2S (C26 H22 F3 N5 O2 S)

Compound Name

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

IUPAC name

4-[2-({[5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-124-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine

SMILES

O=C(c1c(CSc2nnc(-c3ccncc3)n2-c2cc(C(F)(F)F)ccc2)cccc1)N1CCOCC1

InChI

InChI=1S/C26H22F3N5O2S/c27-26(28,29)20-5-3-6-21(16-20)34-23(18-8-10-30-11-9-18)31-32-25(34)37-17-19-4-1-2-7-22(19)24(35)33-12-14-36-15-13-33/h1-11,16H,12-15,17H2

InChI Key

BZXDLMBRWBGBGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27632003

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

525.55

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

4.078

Distribution Coefficient, logD

4.078

Water Solubility, LogSw

-4.26

Polar Surface Area

58.698

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

V026-7536 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-infective Library (19449 compounds)

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V026-7536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-7536?
Check Price and Availability of V026-7536, 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 V026-7536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-7536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-7536
  • 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 V026-7536 available by request