V031-0475 Screening compound: 1-({[5-(2-methoxyphenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}[(oxolan-2-yl)methyl]amino)hexan-2-ol

V031-0475 Screening compound: 1-({[5-(2-methoxyphenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}[(oxolan-2-yl)methyl]amino)hexan-2-ol
V031-0475 Screening compound: 1-({[5-(2-methoxyphenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}[(oxolan-2-yl)methyl]amino)hexan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0475
1-({[5-(2-methoxyphenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}[(oxolan-2-yl)methyl]amino)hexan-2-ol

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

V031-0475

Molecular Formula

C29H39N3O4 (C29 H39 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCCC(CN(CC1OCCC1)Cc(c(C)nn1-c2ccccc2)c1Oc(cccc1)c1OC)O

InChI

InChI=1S/C29H39N3O4/c1-4-5-14-24(33)19-31(20-25-15-11-18-35-25)21-26-22(2)30-32(23-12-7-6-8-13-23)29(26)36-28-17-10-9-16-27(28)34-3/h6-10,12-13,16-17,24-25,33H,4-5,11,14-15,18-21H2,1-3H3

InChI Key

ULBWXBRLULCQQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19883830

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

493.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.924

Distribution Coefficient, logD

4.592

Water Solubility, LogSw

-4.56

Polar Surface Area

57.623

Acid Dissociation Constant (pKa)

16.61

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.30

V031-0475 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V031-0475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0475?
Check Price and Availability of V031-0475, 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 V031-0475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0475
  • 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 V031-0475 available by request