V021-0517 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-3-{3-[3-(BUTAN-2-YLOXY)PHENYL]-5-OXO-2,5-DIHYDRO-1,2,4-TRIAZIN-6-YL}PROPANAMIDE

V021-0517 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-3-{3-[3-(BUTAN-2-YLOXY)PHENYL]-5-OXO-2,5-DIHYDRO-1,2,4-TRIAZIN-6-YL}PROPANAMIDE
V021-0517 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-3-{3-[3-(BUTAN-2-YLOXY)PHENYL]-5-OXO-2,5-DIHYDRO-1,2,4-TRIAZIN-6-YL}PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0517
N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-3-{3-[3-(BUTAN-2-YLOXY)PHENYL]-5-OXO-2,5-DIHYDRO-1,2,4-TRIAZIN-6-YL}PROPANAMIDE

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

V021-0517

Molecular Formula

C24H26N4O5 (C24 H26 N4 O5)

Compound Name

N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-3-{3-[3-(BUTAN-2-YLOXY)PHENYL]-5-OXO-2,5-DIHYDRO-1,2,4-TRIAZIN-6-YL}PROPANAMIDE

IUPAC name

n/a

SMILES

CCC(C)Oc1cccc(C(NN=C2CCC(NCc(cc3)cc4c3OCO4)=O)=NC2=O)c1

InChI

InChI=1S/C24H26N4O5/c1-3-15(2)33-18-6-4-5-17(12-18)23-26-24(30)19(27-28-23)8-10-22(29)25-13-16-7-9-20-21(11-16)32-14-31-20/h4-7,9,11-12,15H,3,8,10,13-14H2,1-2H3,(H,25,29)(H,26,28,30)/t15-/m0/s1

InChI Key

WICPXAKUKBWCDH-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14263893

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

450.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.093

Distribution Coefficient, logD

3.093

Water Solubility, LogSw

-3.28

Polar Surface Area

94.581

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V021-0517 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V021-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-0517?
Check Price and Availability of V021-0517, 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 V021-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0517
  • 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 V021-0517 available by request