D491-9587 Screening compound: N-(1-benzyl-1H-pyrazol-5-yl)-2-(4-fluorophenoxy)butanamide

D491-9587 Screening compound: N-(1-benzyl-1H-pyrazol-5-yl)-2-(4-fluorophenoxy)butanamide
D491-9587 Screening compound: N-(1-benzyl-1H-pyrazol-5-yl)-2-(4-fluorophenoxy)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-9587
N-(1-benzyl-1H-pyrazol-5-yl)-2-(4-fluorophenoxy)butanamide

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

D491-9587

Molecular Formula

C20H20FN3O2 (C20 H20 FN3 O2)

Compound Name

N-(1-benzyl-1H-pyrazol-5-yl)-2-(4-fluorophenoxy)butanamide

IUPAC name

N-(1-benzyl-1H-pyrazol-5-yl)-2-(4-fluorophenoxy)butanamide

SMILES

CCC(C(Nc1ccnn1Cc1ccccc1)=O)Oc(cc1)ccc1F

InChI

InChI=1S/C20H20FN3O2/c1-2-18(26-17-10-8-16(21)9-11-17)20(25)23-19-12-13-22-24(19)14-15-6-4-3-5-7-15/h3-13,18H,2,14H2,1H3,(H,23,25)/t18-/m0/s1

InChI Key

STFACMOUBINBSM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD18076808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.793

Distribution Coefficient, logD

3.793

Water Solubility, LogSw

-3.87

Polar Surface Area

44.435

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D491-9587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-9587?
Check Price and Availability of D491-9587, 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 D491-9587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-9587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-9587
  • 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 D491-9587 available by request