V027-9482 Screening compound: 4-{2-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoyl}morpholine

V027-9482 Screening compound: 4-{2-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoyl}morpholine
V027-9482 Screening compound: 4-{2-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9482
4-{2-[({5-benzyl-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

V027-9482

Molecular Formula

C28H25F3N4O2S (C28 H25 F3 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c(CSc2nnc(Cc3ccccc3)n2-c2cc(C(F)(F)F)ccc2)cccc1)N1CCOCC1

InChI

InChI=1S/C28H25F3N4O2S/c29-28(30,31)22-10-6-11-23(18-22)35-25(17-20-7-2-1-3-8-20)32-33-27(35)38-19-21-9-4-5-12-24(21)26(36)34-13-15-37-16-14-34/h1-12,18H,13-17,19H2

InChI Key

NMASRGLTWASPSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27632397

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

538.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.959

Distribution Coefficient, logD

4.959

Water Solubility, LogSw

-4.94

Polar Surface Area

50.246

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V027-9482 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

PI3K-Targeted Library (17255 compounds)

Regenerative Medicine Focused Library (23016 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
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with V027-9482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9482?
Check Price and Availability of V027-9482, 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 V027-9482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9482
  • 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 V027-9482 available by request