8018-0193 Screening compound: 4-{4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}-3-phenyl-1H,4H,5H,6H-pyrano[2,3-c]pyrazol-6-one

8018-0193 Screening compound: 4-{4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}-3-phenyl-1H,4H,5H,6H-pyrano[2,3-c]pyrazol-6-one
8018-0193 Screening compound: 4-{4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}-3-phenyl-1H,4H,5H,6H-pyrano[2,3-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0193
4-{4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}-3-phenyl-1H,4H,5H,6H-pyrano[2,3-c]pyrazol-6-one

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

8018-0193

Molecular Formula

C26H21FN2O4 (C26 H21 FN2 O4)

Compound Name

4-{4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}-3-phenyl-1H,4H,5H,6H-pyrano[2,3-c]pyrazol-6-one

IUPAC name

4-{4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}-3-phenyl-1H4H5H6H-pyrano[23-c]pyrazol-6-one

SMILES

COc(cc(C(C1)c(c(-c2ccccc2)n[nH]2)c2OC1=O)cc1)c1OCc(cccc1)c1F

InChI

InChI=1S/C26H21FN2O4/c1-31-22-13-17(11-12-21(22)32-15-18-9-5-6-10-20(18)27)19-14-23(30)33-26-24(19)25(28-29-26)16-7-3-2-4-8-16/h2-13,19H,14-15H2,1H3,(H,28,29)/t19-/m1/s1

InChI Key

GEZVUTFAACMJOP-LJQANCHMSA-N

MDL Number (MFCD)

MFCD07021929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.508

Distribution Coefficient, logD

4.508

Water Solubility, LogSw

-4.45

Polar Surface Area

59.498

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

8018-0193 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8018-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0193?
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What is the minimum amount of 8018-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0193
  • 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 8018-0193 available by request