V027-3515 Screening compound: 3-[1-(3-methylphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

V027-3515 Screening compound: 3-[1-(3-methylphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
V027-3515 Screening compound: 3-[1-(3-methylphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-3515
3-[1-(3-methylphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-{[3-(trifluoromethyl)phenyl]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

V027-3515

Molecular Formula

C25H24F3N3O2 (C25 H24 F3 N3 O2)

Compound Name

3-[1-(3-methylphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

IUPAC name

3-[1-(3-methylphenyl)-1H2H3H4H-pyrrolo[12-a]pyrazin-2-yl]-3-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

SMILES

Cc1cccc(C(c2cccn2CC2)N2C(CC(NCc2cccc(C(F)(F)F)c2)=O)=O)c1

InChI

InChI=1S/C25H24F3N3O2/c1-17-5-2-7-19(13-17)24-21-9-4-10-30(21)11-12-31(24)23(33)15-22(32)29-16-18-6-3-8-20(14-18)25(26,27)28/h2-10,13-14,24H,11-12,15-16H2,1H3,(H,29,32)/t24-/m1/s1

InChI Key

GBWBJBADSLKAJX-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19789759

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

455.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.391

Distribution Coefficient, logD

4.391

Water Solubility, LogSw

-4.34

Polar Surface Area

42.305

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

-3.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

V027-3515 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V027-3515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-3515?
Check Price and Availability of V027-3515, 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 V027-3515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-3515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-3515
  • 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 V027-3515 available by request