V029-8009 Screening compound: 4-[2-({[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine

V029-8009 Screening compound: 4-[2-({[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine
V029-8009 Screening compound: 4-[2-({[5-benzyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8009
4-[2-({[5-benzyl-4-(2-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

V029-8009

Molecular Formula

C28H28N4O2S (C28 H28 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C28H28N4O2S/c1-21-9-5-8-14-25(21)32-26(19-22-10-3-2-4-11-22)29-30-28(32)35-20-23-12-6-7-13-24(23)27(33)31-15-17-34-18-16-31/h2-14H,15-20H2,1H3

InChI Key

BUDYKMKXAXUMAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633424

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

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.493

Distribution Coefficient, logD

4.493

Water Solubility, LogSw

-4.41

Polar Surface Area

49.945

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V029-8009 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V029-8009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8009?
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What is the minimum amount of V029-8009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8009
  • 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 V029-8009 available by request