V005-9996 Screening compound: 1-({[5-(2,4-difluorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methoxyethyl)amino)-3-phenylpropan-2-ol

V005-9996 Screening compound: 1-({[5-(2,4-difluorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methoxyethyl)amino)-3-phenylpropan-2-ol
V005-9996 Screening compound: 1-({[5-(2,4-difluorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methoxyethyl)amino)-3-phenylpropan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-9996
1-({[5-(2,4-difluorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methoxyethyl)amino)-3-phenylpropan-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

V005-9996

Molecular Formula

C29H31F2N3O3 (C29 H31 F2 N3 O3)

Compound Name

1-({[5-(2,4-difluorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methoxyethyl)amino)-3-phenylpropan-2-ol

IUPAC name

1-({[5-(24-difluorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methoxyethyl)amino)-3-phenylpropan-2-ol

SMILES

Cc(c(CN(CCOC)CC(Cc1ccccc1)O)c1Oc(ccc(F)c2)c2F)nn1-c1ccccc1

InChI

InChI=1S/C29H31F2N3O3/c1-21-26(20-33(15-16-36-2)19-25(35)17-22-9-5-3-6-10-22)29(34(32-21)24-11-7-4-8-12-24)37-28-14-13-23(30)18-27(28)31/h3-14,18,25,35H,15-17,19-20H2,1-2H3/t25-/m0/s1

InChI Key

NYRGKOYIRKAERZ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19881350

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

507.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.997

Distribution Coefficient, logD

4.117

Water Solubility, LogSw

-4.77

Polar Surface Area

49.659

Acid Dissociation Constant (pKa)

16.21

Base Dissociation Constant (pKb)

8.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

V005-9996 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V005-9996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-9996?
Check Price and Availability of V005-9996, 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 V005-9996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-9996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-9996
  • 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 V005-9996 available by request