V004-5073 Screening compound: 2-{1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-2-phenyl-N-[(pyridin-2-yl)methyl]acetamide

V004-5073 Screening compound: 2-{1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-2-phenyl-N-[(pyridin-2-yl)methyl]acetamide
V004-5073 Screening compound: 2-{1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-2-phenyl-N-[(pyridin-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5073
2-{1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-2-phenyl-N-[(pyridin-2-yl)methyl]acetamide

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

V004-5073

Molecular Formula

C28H24F3N5O3 (C28 H24 F3 N5 O3)

Compound Name

2-{1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-2-phenyl-N-[(pyridin-2-yl)methyl]acetamide

IUPAC name

2-{1-methyl-25-dioxo-4-[2-(trifluoromethyl)phenyl]-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl}-2-phenyl-N-[(pyridin-2-yl)methyl]acetamide

SMILES

CN(C(CN1C(C(NCc2ncccc2)=O)c2ccccc2)=C(C(c2c(C(F)(F)F)cccc2)N2)C1=O)C2=O

InChI

InChI=1S/C28H24F3N5O3/c1-35-21-16-36(24(17-9-3-2-4-10-17)25(37)33-15-18-11-7-8-14-32-18)26(38)22(21)23(34-27(35)39)19-12-5-6-13-20(19)28(29,30)31/h2-14,23-24H,15-16H2,1H3,(H,33,37)(H,34,39)

InChI Key

SZFSVDSYAKIYCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19805039

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

535.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.996

Distribution Coefficient, logD

2.812

Water Solubility, LogSw

-3.46

Polar Surface Area

77.585

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.40

V004-5073 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 V004-5073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5073?
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What is the minimum amount of V004-5073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5073
  • 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 V004-5073 available by request