F090-1413 Screening compound: 2-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-[(4-nitrophenyl)methoxy]phenol

F090-1413 Screening compound: 2-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-[(4-nitrophenyl)methoxy]phenol
F090-1413 Screening compound: 2-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-[(4-nitrophenyl)methoxy]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound F090-1413
2-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-[(4-nitrophenyl)methoxy]phenol

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

F090-1413

Molecular Formula

C23H19N3O5 (C23 H19 N3 O5)

Compound Name

2-[4-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-[(4-nitrophenyl)methoxy]phenol

IUPAC name

n/a

SMILES

COc(cc1)ccc1-c1c[nH]nc1-c(ccc(OCc(cc1)ccc1[N+]([O-])=O)c1)c1O

InChI

InChI=1S/C23H19N3O5/c1-30-18-8-4-16(5-9-18)21-13-24-25-23(21)20-11-10-19(12-22(20)27)31-14-15-2-6-17(7-3-15)26(28)29/h2-13,27H,14H2,1H3,(H,24,25)

InChI Key

APQADEXZDAKXDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04198414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.422

Distribution Coefficient, logD

5.343

Water Solubility, LogSw

-5.38

Polar Surface Area

88.858

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

F090-1413 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F090-1413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F090-1413?
Check Price and Availability of F090-1413, 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 F090-1413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F090-1413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F090-1413
  • 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 F090-1413 available by request