V029-7950 Screening compound: 4-[2-({[5-benzyl-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine

V029-7950 Screening compound: 4-[2-({[5-benzyl-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine
V029-7950 Screening compound: 4-[2-({[5-benzyl-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-7950
4-[2-({[5-benzyl-4-(2-methoxyphenyl)-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

V029-7950

Molecular Formula

C28H28N4O3S (C28 H28 N4 O3 S)

Compound Name

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

IUPAC name

4-[2-({[5-benzyl-4-(2-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine

SMILES

COc(cccc1)c1-n1c(SCc(cccc2)c2C(N2CCOCC2)=O)nnc1Cc1ccccc1

InChI

InChI=1S/C28H28N4O3S/c1-34-25-14-8-7-13-24(25)32-26(19-21-9-3-2-4-10-21)29-30-28(32)36-20-22-11-5-6-12-23(22)27(33)31-15-17-35-18-16-31/h2-14H,15-20H2,1H3

InChI Key

HTHDHRQUNZGINE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633370

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.910

Distribution Coefficient, logD

3.910

Water Solubility, LogSw

-4.01

Polar Surface Area

57.575

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V029-7950 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antifungal Library (16415 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
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V029-7950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-7950?
Check Price and Availability of V029-7950, 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 V029-7950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-7950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-7950
  • 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 V029-7950 available by request