V001-5683 Screening compound: methyl 2-({benzyl[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]amino}methyl)benzoate

V001-5683 Screening compound: methyl 2-({benzyl[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]amino}methyl)benzoate
V001-5683 Screening compound: methyl 2-({benzyl[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]amino}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-5683
methyl 2-({benzyl[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]amino}methyl)benzoate

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

V001-5683

Molecular Formula

C29H27F3N2O2 (C29 H27 F3 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

COC(c1c(CN(Cc2cccn2Cc2cccc(C(F)(F)F)c2)Cc2ccccc2)cccc1)=O

InChI

InChI=1S/C29H27F3N2O2/c1-36-28(35)27-15-6-5-12-24(27)20-33(18-22-9-3-2-4-10-22)21-26-14-8-16-34(26)19-23-11-7-13-25(17-23)29(30,31)32/h2-17H,18-21H2,1H3

InChI Key

NOAFPMUNWHMALG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19775500

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

492.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.344

Distribution Coefficient, logD

6.207

Water Solubility, LogSw

-5.78

Polar Surface Area

26.923

Acid Dissociation Constant (pKa)

24.41

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

V001-5683 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V001-5683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-5683?
Check Price and Availability of V001-5683, 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 V001-5683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-5683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-5683
  • 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 V001-5683 available by request