8018-4610 Screening compound: 4-{4-[(3-fluorophenyl)methoxy]phenyl}-3-(4-methoxyphenyl)-1H,4H,5H,6H-pyrano[2,3-c]pyrazol-6-one

8018-4610 Screening compound: 4-{4-[(3-fluorophenyl)methoxy]phenyl}-3-(4-methoxyphenyl)-1H,4H,5H,6H-pyrano[2,3-c]pyrazol-6-one
8018-4610 Screening compound: 4-{4-[(3-fluorophenyl)methoxy]phenyl}-3-(4-methoxyphenyl)-1H,4H,5H,6H-pyrano[2,3-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4610
4-{4-[(3-fluorophenyl)methoxy]phenyl}-3-(4-methoxyphenyl)-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

8018-4610

Molecular Formula

C26H21FN2O4 (C26 H21 FN2 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1n[nH]c(OC(C2)=O)c1C2c(cc1)ccc1OCc1cccc(F)c1

InChI

InChI=1S/C26H21FN2O4/c1-31-20-9-7-18(8-10-20)25-24-22(14-23(30)33-26(24)29-28-25)17-5-11-21(12-6-17)32-15-16-3-2-4-19(27)13-16/h2-13,22H,14-15H2,1H3,(H,28,29)/t22-/m1/s1

InChI Key

JGRASGBHBUCIIX-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD07658938

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

4.867

Distribution Coefficient, logD

4.867

Water Solubility, LogSw

-4.77

Polar Surface Area

59.325

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

8018-4610 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8018-4610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4610?
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What is the minimum amount of 8018-4610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4610
  • 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 8018-4610 available by request