V017-9553 Screening compound: 1-[{[3-methyl-5-(4-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}(tetrahydro-2-furanylmethyl)amino]-2-butanol

V017-9553 Screening compound: 1-[{[3-methyl-5-(4-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}(tetrahydro-2-furanylmethyl)amino]-2-butanol
V017-9553 Screening compound: 1-[{[3-methyl-5-(4-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}(tetrahydro-2-furanylmethyl)amino]-2-butanol alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-9553
1-[{[3-methyl-5-(4-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}(tetrahydro-2-furanylmethyl)amino]-2-butanol

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

V017-9553

Molecular Formula

C27H35N3O3 (C27 H35 N3 O3)

Compound Name

1-[{[3-methyl-5-(4-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}(tetrahydro-2-furanylmethyl)amino]-2-butanol

IUPAC name

1-({[3-methyl-5-(4-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}[(oxolan-2-yl)methyl]amino)butan-2-ol

SMILES

CCC(CN(CC1OCCC1)Cc(c(C)nn1-c2ccccc2)c1Oc1ccc(C)cc1)O

InChI

InChI=1S/C27H35N3O3/c1-4-23(31)17-29(18-25-11-8-16-32-25)19-26-21(3)28-30(22-9-6-5-7-10-22)27(26)33-24-14-12-20(2)13-15-24/h5-7,9-10,12-15,23,25,31H,4,8,11,16-19H2,1-3H3

InChI Key

QUZJKKHHGAZCKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19887491

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

449.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.503

Distribution Coefficient, logD

3.888

Water Solubility, LogSw

-4.20

Polar Surface Area

49.906

Acid Dissociation Constant (pKa)

16.71

Base Dissociation Constant (pKb)

7.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.44

V017-9553 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 V017-9553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-9553?
Check Price and Availability of V017-9553, 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 V017-9553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-9553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-9553
  • 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 V017-9553 available by request