V009-1688 Screening compound: benzyl[(2-methylphenyl)methyl][(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]amine

V009-1688 Screening compound: benzyl[(2-methylphenyl)methyl][(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]amine
V009-1688 Screening compound: benzyl[(2-methylphenyl)methyl][(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-1688
benzyl[(2-methylphenyl)methyl][(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]amine

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

V009-1688

Molecular Formula

C28H27F3N2 (C28 H27 F3 N2)

Compound Name

benzyl[(2-methylphenyl)methyl][(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]amine

IUPAC name

benzyl[(2-methylphenyl)methyl][(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]amine

SMILES

Cc1c(CN(Cc2cccn2Cc2cccc(C(F)(F)F)c2)Cc2ccccc2)cccc1

InChI

InChI=1S/C28H27F3N2/c1-22-9-5-6-13-25(22)20-32(18-23-10-3-2-4-11-23)21-27-15-8-16-33(27)19-24-12-7-14-26(17-24)28(29,30)31/h2-17H,18-21H2,1H3

InChI Key

GDPBYFRKWGONQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19775431

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

448.53

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.070

Distribution Coefficient, logD

7.062

Water Solubility, LogSw

-6.04

Polar Surface Area

5.749

Acid Dissociation Constant (pKa)

25.58

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

V009-1688 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V009-1688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-1688?
Check Price and Availability of V009-1688, 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 V009-1688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-1688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-1688
  • 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 V009-1688 available by request