V003-3180 Screening compound: 1-[{[3-(2-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}(3-methoxybenzyl)amino]-3-phenyl-2-propanol

V003-3180 Screening compound: 1-[{[3-(2-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}(3-methoxybenzyl)amino]-3-phenyl-2-propanol
V003-3180 Screening compound: 1-[{[3-(2-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}(3-methoxybenzyl)amino]-3-phenyl-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3180
1-[{[3-(2-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}(3-methoxybenzyl)amino]-3-phenyl-2-propanol

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

V003-3180

Molecular Formula

C27H29FN2O3 (C27 H29 FN2 O3)

Compound Name

1-[{[3-(2-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}(3-methoxybenzyl)amino]-3-phenyl-2-propanol

IUPAC name

n/a

SMILES

COc1cccc(CN(CC(Cc2ccccc2)O)CC(C2)ON=C2c(cccc2)c2F)c1

InChI

InChI=1S/C27H29FN2O3/c1-32-23-11-7-10-21(15-23)17-30(18-22(31)14-20-8-3-2-4-9-20)19-24-16-27(29-33-24)25-12-5-6-13-26(25)28/h2-13,15,22,24,31H,14,16-19H2,1H3

InChI Key

QIPZYUCOWDXPEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19869156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.022

Distribution Coefficient, logD

4.629

Water Solubility, LogSw

-4.67

Polar Surface Area

50.678

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

7.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.60

V003-3180 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 V003-3180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3180?
Check Price and Availability of V003-3180, 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 V003-3180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3180
  • 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 V003-3180 available by request