V016-3116 Screening compound: (3-butoxy-2-hydroxypropyl)({[3-ethyl-5-(3-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl})(2-methoxyethyl)amine

V016-3116 Screening compound: (3-butoxy-2-hydroxypropyl)({[3-ethyl-5-(3-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl})(2-methoxyethyl)amine
V016-3116 Screening compound: (3-butoxy-2-hydroxypropyl)({[3-ethyl-5-(3-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl})(2-methoxyethyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-3116
(3-butoxy-2-hydroxypropyl)({[3-ethyl-5-(3-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl})(2-methoxyethyl)amine

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

V016-3116

Molecular Formula

C28H38FN3O4 (C28 H38 FN3 O4)

Compound Name

(3-butoxy-2-hydroxypropyl)({[3-ethyl-5-(3-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl})(2-methoxyethyl)amine

IUPAC name

(3-butoxy-2-hydroxypropyl)({[3-ethyl-5-(3-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl})(2-methoxyethyl)amine

SMILES

CCCCOCC(CN(CCOC)Cc(c(CC)nn1-c2ccccc2)c1Oc1cccc(F)c1)O

InChI

InChI=1S/C28H38FN3O4/c1-4-6-16-35-21-24(33)19-31(15-17-34-3)20-26-27(5-2)30-32(23-12-8-7-9-13-23)28(26)36-25-14-10-11-22(29)18-25/h7-14,18,24,33H,4-6,15-17,19-21H2,1-3H3/t24-/m0/s1

InChI Key

SKQMKGWUWFFAPC-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19883814

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

499.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.982

Distribution Coefficient, logD

4.181

Water Solubility, LogSw

-4.64

Polar Surface Area

58.885

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

8.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

References: we are preparing a list of scientific research reports with V016-3116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-3116?
Check Price and Availability of V016-3116, 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 V016-3116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-3116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-3116
  • 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 V016-3116 available by request