V026-5563 Screening compound: [4-({[4-ethyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](morpholino)methanone

V026-5563 Screening compound: [4-({[4-ethyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](morpholino)methanone
V026-5563 Screening compound: [4-({[4-ethyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](morpholino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5563
[4-({[4-ethyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](morpholino)methanone

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

V026-5563

Molecular Formula

C22H23N5O4S (C22 H23 N5 O4 S)

Compound Name

[4-({[4-ethyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](morpholino)methanone

IUPAC name

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

SMILES

CCn1c(SCc(cc2)ccc2C(N2CCOCC2)=O)nnc1-c(cccc1)c1[N+]([O-])=O

InChI

InChI=1S/C22H23N5O4S/c1-2-26-20(18-5-3-4-6-19(18)27(29)30)23-24-22(26)32-15-16-7-9-17(10-8-16)21(28)25-11-13-31-14-12-25/h3-10H,2,11-15H2,1H3

InChI Key

QKCNVNXCOAXMAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782517

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

453.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.285

Distribution Coefficient, logD

2.285

Water Solubility, LogSw

-2.72

Polar Surface Area

81.603

Acid Dissociation Constant (pKa)

19.54

Base Dissociation Constant (pKb)

2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

V026-5563 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 V026-5563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5563?
Check Price and Availability of V026-5563, 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 V026-5563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5563
  • 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 V026-5563 available by request