V009-5590 Screening compound: (cyclohexylmethyl)({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl){3-[(furan-2-yl)methoxy]-2-hydroxypropyl}amine

V009-5590 Screening compound: (cyclohexylmethyl)({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl){3-[(furan-2-yl)methoxy]-2-hydroxypropyl}amine
V009-5590 Screening compound: (cyclohexylmethyl)({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl){3-[(furan-2-yl)methoxy]-2-hydroxypropyl}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-5590
(cyclohexylmethyl)({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl){3-[(furan-2-yl)methoxy]-2-hydroxypropyl}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

V009-5590

Molecular Formula

C27H35FN2O3 (C27 H35 FN2 O3)

Compound Name

(cyclohexylmethyl)({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl){3-[(furan-2-yl)methoxy]-2-hydroxypropyl}amine

IUPAC name

(cyclohexylmethyl)({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl){3-[(furan-2-yl)methoxy]-2-hydroxypropyl}amine

SMILES

OC(CN(CC1CCCCC1)Cc1cccn1Cc(cc1)ccc1F)COCc1ccco1

InChI

InChI=1S/C27H35FN2O3/c28-24-12-10-23(11-13-24)17-30-14-4-8-25(30)18-29(16-22-6-2-1-3-7-22)19-26(31)20-32-21-27-9-5-15-33-27/h4-5,8-15,22,26,31H,1-3,6-7,16-21H2/t26-/m0/s1

InChI Key

HHWMKTBUYBHDNS-SANMLTNESA-N

MDL Number (MFCD)

MFCD19772559

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.262

Distribution Coefficient, logD

5.234

Water Solubility, LogSw

-5.26

Polar Surface Area

38.744

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

V009-5590 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V009-5590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-5590?
Check Price and Availability of V009-5590, 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 V009-5590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-5590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-5590
  • 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 V009-5590 available by request