V030-5457 Screening compound: N-[3-(morpholin-4-yl)propyl]-3-[5-oxo-3-(3-propoxyphenyl)-2,5-dihydro-1,2,4-triazin-6-yl]propanamide

V030-5457 Screening compound: N-[3-(morpholin-4-yl)propyl]-3-[5-oxo-3-(3-propoxyphenyl)-2,5-dihydro-1,2,4-triazin-6-yl]propanamide
V030-5457 Screening compound: N-[3-(morpholin-4-yl)propyl]-3-[5-oxo-3-(3-propoxyphenyl)-2,5-dihydro-1,2,4-triazin-6-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5457
N-[3-(morpholin-4-yl)propyl]-3-[5-oxo-3-(3-propoxyphenyl)-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

V030-5457

Molecular Formula

C22H31N5O4 (C22 H31 N5 O4)

Compound Name

N-[3-(morpholin-4-yl)propyl]-3-[5-oxo-3-(3-propoxyphenyl)-2,5-dihydro-1,2,4-triazin-6-yl]propanamide

IUPAC name

N-[3-(morpholin-4-yl)propyl]-3-[5-oxo-3-(3-propoxyphenyl)-25-dihydro-124-triazin-6-yl]propanamide

SMILES

CCCOc1cccc(C(NN=C2CCC(NCCCN3CCOCC3)=O)=NC2=O)c1

InChI

InChI=1S/C22H31N5O4/c1-2-13-31-18-6-3-5-17(16-18)21-24-22(29)19(25-26-21)7-8-20(28)23-9-4-10-27-11-14-30-15-12-27/h3,5-6,16H,2,4,7-15H2,1H3,(H,23,28)(H,24,26,29)

InChI Key

VECFBBRYXSNOTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19934899

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.916

Distribution Coefficient, logD

0.916

Water Solubility, LogSw

-1.98

Polar Surface Area

89.930

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

V030-5457 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 V030-5457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5457?
Check Price and Availability of V030-5457, 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 V030-5457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5457
  • 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 V030-5457 available by request