V003-3416 Screening compound: 4-[4-({[4-(2-methylphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine

V003-3416 Screening compound: 4-[4-({[4-(2-methylphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine
V003-3416 Screening compound: 4-[4-({[4-(2-methylphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3416
4-[4-({[4-(2-methylphenyl)-5-(4-methylphenyl)-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

V003-3416

Molecular Formula

C28H28N4O2S (C28 H28 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c(n1-c2c(C)cccc2)nnc1SCc(cc1)ccc1C(N1CCOCC1)=O

InChI

InChI=1S/C28H28N4O2S/c1-20-7-11-23(12-8-20)26-29-30-28(32(26)25-6-4-3-5-21(25)2)35-19-22-9-13-24(14-10-22)27(33)31-15-17-34-18-16-31/h3-14H,15-19H2,1-2H3

InChI Key

OHYVMHOCDMYSCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19791715

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

484.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.648

Distribution Coefficient, logD

4.648

Water Solubility, LogSw

-4.34

Polar Surface Area

48.968

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V003-3416 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 V003-3416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3416?
Check Price and Availability of V003-3416, 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 V003-3416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3416
  • 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 V003-3416 available by request