V023-1519 Screening compound: 2-[4-(3-methylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenyl-N-[(pyridin-3-yl)methyl]propanamide

V023-1519 Screening compound: 2-[4-(3-methylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenyl-N-[(pyridin-3-yl)methyl]propanamide
V023-1519 Screening compound: 2-[4-(3-methylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenyl-N-[(pyridin-3-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-1519
2-[4-(3-methylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenyl-N-[(pyridin-3-yl)methyl]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

V023-1519

Molecular Formula

C31H31N5O3 (C31 H31 N5 O3)

Compound Name

2-[4-(3-methylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenyl-N-[(pyridin-3-yl)methyl]propanamide

IUPAC name

2-[4-(3-methylphenyl)-25-dioxo-1-(prop-2-en-1-yl)-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-3-phenyl-N-[(pyridin-3-yl)methyl]propanamide

SMILES

Cc1cccc(C(C(C(N(C2)C(Cc3ccccc3)C(NCc3cnccc3)=O)=O)=C2N2CC=C)NC2=O)c1

InChI

InChI=1S/C31H31N5O3/c1-3-15-35-26-20-36(30(38)27(26)28(34-31(35)39)24-13-7-9-21(2)16-24)25(17-22-10-5-4-6-11-22)29(37)33-19-23-12-8-14-32-18-23/h3-14,16,18,25,28H,1,15,17,19-20H2,2H3,(H,33,37)(H,34,39)

InChI Key

CNAWDRORBISWKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19800134

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

521.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.494

Distribution Coefficient, logD

3.472

Water Solubility, LogSw

-3.35

Polar Surface Area

77.737

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.60

V023-1519 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 V023-1519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-1519?
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What is the minimum amount of V023-1519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-1519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-1519
  • 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 V023-1519 available by request