V001-0266 Screening compound: 4-[4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine

V001-0266 Screening compound: 4-[4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine
V001-0266 Screening compound: 4-[4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-0266
4-[4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-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

V001-0266

Molecular Formula

C23H23N5O4S (C23 H23 N5 O4 S)

Compound Name

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

IUPAC name

4-[4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzoyl]morpholine

SMILES

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

InChI

InChI=1S/C23H23N5O4S/c1-2-11-27-21(19-5-3-4-6-20(19)28(30)31)24-25-23(27)33-16-17-7-9-18(10-8-17)22(29)26-12-14-32-15-13-26/h2-10H,1,11-16H2

InChI Key

HHJCNPYAVHOGRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19977914

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

465.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.497

Distribution Coefficient, logD

2.497

Water Solubility, LogSw

-2.85

Polar Surface Area

81.857

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

V001-0266 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 V001-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-0266?
Check Price and Availability of V001-0266, 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 V001-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-0266
  • 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 V001-0266 available by request