V028-3636 Screening compound: N-[2-(2-METHOXYPHENYL)ETHYL]-3-{5-OXO-3-[3-(TRIFLUOROMETHYL)PHENYL]-2,5-DIHYDRO-1,2,4-TRIAZIN-6-YL}PROPANAMIDE

V028-3636 Screening compound: N-[2-(2-METHOXYPHENYL)ETHYL]-3-{5-OXO-3-[3-(TRIFLUOROMETHYL)PHENYL]-2,5-DIHYDRO-1,2,4-TRIAZIN-6-YL}PROPANAMIDE
V028-3636 Screening compound: N-[2-(2-METHOXYPHENYL)ETHYL]-3-{5-OXO-3-[3-(TRIFLUOROMETHYL)PHENYL]-2,5-DIHYDRO-1,2,4-TRIAZIN-6-YL}PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-3636
N-[2-(2-METHOXYPHENYL)ETHYL]-3-{5-OXO-3-[3-(TRIFLUOROMETHYL)PHENYL]-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

V028-3636

Molecular Formula

C22H21F3N4O3 (C22 H21 F3 N4 O3)

Compound Name

N-[2-(2-METHOXYPHENYL)ETHYL]-3-{5-OXO-3-[3-(TRIFLUOROMETHYL)PHENYL]-2,5-DIHYDRO-1,2,4-TRIAZIN-6-YL}PROPANAMIDE

IUPAC name

N-[2-(2-methoxyphenyl)ethyl]-3-{5-oxo-3-[3-(trifluoromethyl)phenyl]-25-dihydro-124-triazin-6-yl}propanamide

SMILES

COc1c(CCNC(CCC2=NNC(c3cccc(C(F)(F)F)c3)=NC2=O)=O)cccc1

InChI

InChI=1S/C22H21F3N4O3/c1-32-18-8-3-2-5-14(18)11-12-26-19(30)10-9-17-21(31)27-20(29-28-17)15-6-4-7-16(13-15)22(23,24)25/h2-8,13H,9-12H2,1H3,(H,26,30)(H,27,29,31)

InChI Key

GBEQRHMUPAUDIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14264463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.703

Distribution Coefficient, logD

2.703

Water Solubility, LogSw

-3.20

Polar Surface Area

78.252

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

V028-3636 in Drug Discovery

Included in Screening Libraries

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 V028-3636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-3636?
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What is the minimum amount of V028-3636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-3636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-3636
  • 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 V028-3636 available by request