V002-0591 Screening compound: [5-({[(2H-1,3-benzodioxol-5-yl)methyl](2-methoxyethyl)amino}methyl)furan-2-yl]bis(3-fluorophenyl)methanol

V002-0591 Screening compound: [5-({[(2H-1,3-benzodioxol-5-yl)methyl](2-methoxyethyl)amino}methyl)furan-2-yl]bis(3-fluorophenyl)methanol
V002-0591 Screening compound: [5-({[(2H-1,3-benzodioxol-5-yl)methyl](2-methoxyethyl)amino}methyl)furan-2-yl]bis(3-fluorophenyl)methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-0591
[5-({[(2H-1,3-benzodioxol-5-yl)methyl](2-methoxyethyl)amino}methyl)furan-2-yl]bis(3-fluorophenyl)methanol

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

V002-0591

Molecular Formula

C29H27F2NO5 (C29 H27 F2 NO5)

Compound Name

[5-({[(2H-1,3-benzodioxol-5-yl)methyl](2-methoxyethyl)amino}methyl)furan-2-yl]bis(3-fluorophenyl)methanol

IUPAC name

[5-({[(2H-13-benzodioxol-5-yl)methyl](2-methoxyethyl)amino}methyl)furan-2-yl]bis(3-fluorophenyl)methanol

SMILES

COCCN(Cc1ccc(C(c2cc(F)ccc2)(c2cccc(F)c2)O)o1)Cc(cc1)cc2c1OCO2

InChI

InChI=1S/C29H27F2NO5/c1-34-13-12-32(17-20-8-10-26-27(14-20)36-19-35-26)18-25-9-11-28(37-25)29(33,21-4-2-6-23(30)15-21)22-5-3-7-24(31)16-22/h2-11,14-16,33H,12-13,17-19H2,1H3

InChI Key

RQPQJXBAJFKJDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19870965

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

507.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.659

Distribution Coefficient, logD

4.565

Water Solubility, LogSw

-5.48

Polar Surface Area

51.753

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

8.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.14

V002-0591 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V002-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-0591?
Check Price and Availability of V002-0591, 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 V002-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-0591
  • 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 V002-0591 available by request