8018-0191 Screening compound: 4-[4-(benzyloxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-4,5-dihydropyrano[2,3-c]pyrazol-6(1H)-one

8018-0191 Screening compound: 4-[4-(benzyloxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-4,5-dihydropyrano[2,3-c]pyrazol-6(1H)-one
8018-0191 Screening compound: 4-[4-(benzyloxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-4,5-dihydropyrano[2,3-c]pyrazol-6(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0191
4-[4-(benzyloxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-4,5-dihydropyrano[2,3-c]pyrazol-6(1H)-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

8018-0191

Molecular Formula

C27H24N2O5 (C27 H24 N2 O5)

Compound Name

4-[4-(benzyloxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-4,5-dihydropyrano[2,3-c]pyrazol-6(1H)-one

IUPAC name

4-[4-(benzyloxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H4H5H6H-pyrano[23-c]pyrazol-6-one

SMILES

COc(cc1)ccc1-c1n[nH]c(OC(C2)=O)c1C2c(cc1)cc(OC)c1OCc1ccccc1

InChI

InChI=1S/C27H24N2O5/c1-31-20-11-8-18(9-12-20)26-25-21(15-24(30)34-27(25)29-28-26)19-10-13-22(23(14-19)32-2)33-16-17-6-4-3-5-7-17/h3-14,21H,15-16H2,1-2H3,(H,28,29)/t21-/m0/s1

InChI Key

JAAKGQIMXQTCMK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD07021927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.521

Distribution Coefficient, logD

4.521

Water Solubility, LogSw

-4.71

Polar Surface Area

67.042

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.52

8018-0191 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0191?
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What is the minimum amount of 8018-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0191
  • 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 8018-0191 available by request