V009-3564 Screening compound: methyl 2-{[cyclohexyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]methyl}benzoate

V009-3564 Screening compound: methyl 2-{[cyclohexyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]methyl}benzoate
V009-3564 Screening compound: methyl 2-{[cyclohexyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-3564
methyl 2-{[cyclohexyl({1-[(4-fluorophenyl)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

V009-3564

Molecular Formula

C27H31FN2O2 (C27 H31 FN2 O2)

Compound Name

methyl 2-{[cyclohexyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]methyl}benzoate

IUPAC name

methyl 2-{[cyclohexyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]methyl}benzoate

SMILES

COC(c1c(CN(Cc2cccn2Cc(cc2)ccc2F)C2CCCCC2)cccc1)=O

InChI

InChI=1S/C27H31FN2O2/c1-32-27(31)26-12-6-5-8-22(26)19-30(24-9-3-2-4-10-24)20-25-11-7-17-29(25)18-21-13-15-23(28)16-14-21/h5-8,11-17,24H,2-4,9-10,18-20H2,1H3

InChI Key

MLNNQJBQRWUVRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19775267

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

434.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.919

Distribution Coefficient, logD

5.167

Water Solubility, LogSw

-5.50

Polar Surface Area

26.059

Acid Dissociation Constant (pKa)

25.54

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

V009-3564 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V009-3564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-3564?
Check Price and Availability of V009-3564, 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 V009-3564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-3564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-3564
  • 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 V009-3564 available by request