V018-4490 Screening compound: 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]-N-(4-methoxyphenyl)-3-phenylpropanamide

V018-4490 Screening compound: 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]-N-(4-methoxyphenyl)-3-phenylpropanamide
V018-4490 Screening compound: 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]-N-(4-methoxyphenyl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-4490
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]-N-(4-methoxyphenyl)-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

V018-4490

Molecular Formula

C32H29F3N4O4 (C32 H29 F3 N4 O4)

Compound Name

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]-N-(4-methoxyphenyl)-3-phenylpropanamide

IUPAC name

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

SMILES

COc(cc1)ccc1NC(C(Cc1ccccc1)N(CC(N1CC=C)=C2C(c3c(C(F)(F)F)cccc3)NC1=O)C2=O)=O

InChI

InChI=1S/C32H29F3N4O4/c1-3-17-38-26-19-39(30(41)27(26)28(37-31(38)42)23-11-7-8-12-24(23)32(33,34)35)25(18-20-9-5-4-6-10-20)29(40)36-21-13-15-22(43-2)16-14-21/h3-16,25,28H,1,17-19H2,2H3,(H,36,40)(H,37,42)

InChI Key

BWOZVBGEWYUHRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19936348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

590.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.418

Distribution Coefficient, logD

5.330

Water Solubility, LogSw

-5.40

Polar Surface Area

74.441

Acid Dissociation Constant (pKa)

8.05

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.90

V018-4490 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V018-4490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-4490?
Check Price and Availability of V018-4490, 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 V018-4490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-4490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-4490
  • 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 V018-4490 available by request