V018-4478 Screening compound: N-benzyl-2-[2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide

V018-4478 Screening compound: N-benzyl-2-[2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide
V018-4478 Screening compound: N-benzyl-2-[2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-4478
N-benzyl-2-[2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide

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

V018-4478

Molecular Formula

C32H29F3N4O3 (C32 H29 F3 N4 O3)

Compound Name

N-benzyl-2-[2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide

IUPAC name

N-benzyl-2-[25-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]-3-phenylpropanamide

SMILES

C=CCN(C(CN1C(Cc2ccccc2)C(NCc2ccccc2)=O)=C(C(c2c(C(F)(F)F)cccc2)N2)C1=O)C2=O

InChI

InChI=1S/C32H29F3N4O3/c1-2-17-38-26-20-39(25(18-21-11-5-3-6-12-21)29(40)36-19-22-13-7-4-8-14-22)30(41)27(26)28(37-31(38)42)23-15-9-10-16-24(23)32(33,34)35/h2-16,25,28H,1,17-20H2,(H,36,40)(H,37,42)

InChI Key

YCDUGOYLRSWFHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19936345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.037

Distribution Coefficient, logD

4.948

Water Solubility, LogSw

-4.86

Polar Surface Area

68.219

Acid Dissociation Constant (pKa)

8.05

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.90

V018-4478 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V018-4478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-4478?
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What is the minimum amount of V018-4478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-4478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-4478
  • 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 V018-4478 available by request