V018-7779 Screening compound: 1-(2,3-dihydro-1H-inden-5-yl)-2-oxo-N~3~-[3-(trifluoromethyl)benzyl]-3-pyrrolidinecarboxamide

V018-7779 Screening compound: 1-(2,3-dihydro-1H-inden-5-yl)-2-oxo-N~3~-[3-(trifluoromethyl)benzyl]-3-pyrrolidinecarboxamide
V018-7779 Screening compound: 1-(2,3-dihydro-1H-inden-5-yl)-2-oxo-N~3~-[3-(trifluoromethyl)benzyl]-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-7779
1-(2,3-dihydro-1H-inden-5-yl)-2-oxo-N~3~-[3-(trifluoromethyl)benzyl]-3-pyrrolidinecarboxamide

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

V018-7779

Molecular Formula

C22H21F3N2O2 (C22 H21 F3 N2 O2)

Compound Name

1-(2,3-dihydro-1H-inden-5-yl)-2-oxo-N~3~-[3-(trifluoromethyl)benzyl]-3-pyrrolidinecarboxamide

IUPAC name

1-(23-dihydro-1H-inden-5-yl)-2-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidine-3-carboxamide

SMILES

O=C(C(CCN1c2cc(CCC3)c3cc2)C1=O)NCc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C22H21F3N2O2/c23-22(24,25)17-6-1-3-14(11-17)13-26-20(28)19-9-10-27(21(19)29)18-8-7-15-4-2-5-16(15)12-18/h1,3,6-8,11-12,19H,2,4-5,9-10,13H2,(H,26,28)/t19-/m0/s1

InChI Key

QNBHRWCJBGMJSD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19906375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.719

Distribution Coefficient, logD

1.109

Water Solubility, LogSw

-4.06

Polar Surface Area

41.477

Acid Dissociation Constant (pKa)

4.79

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

V018-7779 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V018-7779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-7779?
Check Price and Availability of V018-7779, 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 V018-7779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-7779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-7779
  • 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 V018-7779 available by request