V021-0541 Screening compound: 3-{3-[3-(butan-2-yloxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-cyclohexylpropanamide

V021-0541 Screening compound: 3-{3-[3-(butan-2-yloxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-cyclohexylpropanamide
V021-0541 Screening compound: 3-{3-[3-(butan-2-yloxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-cyclohexylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0541
3-{3-[3-(butan-2-yloxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-cyclohexylpropanamide

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

V021-0541

Molecular Formula

C22H30N4O3 (C22 H30 N4 O3)

Compound Name

3-{3-[3-(butan-2-yloxy)phenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-cyclohexylpropanamide

IUPAC name

3-{3-[3-(butan-2-yloxy)phenyl]-5-oxo-25-dihydro-124-triazin-6-yl}-N-cyclohexylpropanamide

SMILES

CCC(C)Oc1cccc(C(NN=C2CCC(NC3CCCCC3)=O)=NC2=O)c1

InChI

InChI=1S/C22H30N4O3/c1-3-15(2)29-18-11-7-8-16(14-18)21-24-22(28)19(25-26-21)12-13-20(27)23-17-9-5-4-6-10-17/h7-8,11,14-15,17H,3-6,9-10,12-13H2,1-2H3,(H,23,27)(H,24,26,28)/t15-/m0/s1

InChI Key

PFAOPYMFLGWSLW-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14263879

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

398.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.524

Distribution Coefficient, logD

3.524

Water Solubility, LogSw

-3.72

Polar Surface Area

77.191

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

V021-0541 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V021-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-0541?
Check Price and Availability of V021-0541, 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 V021-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0541
  • 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 V021-0541 available by request