Y040-4871 Screening compound: 8-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-9-hydroxy-7-methyl-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

Y040-4871 Screening compound: 8-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-9-hydroxy-7-methyl-1H,2H,3H,4H-cyclopenta[c]chromen-4-one
Y040-4871 Screening compound: 8-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-9-hydroxy-7-methyl-1H,2H,3H,4H-cyclopenta[c]chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4871
8-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-9-hydroxy-7-methyl-1H,2H,3H,4H-cyclopenta[c]chromen-4-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

Y040-4871

Molecular Formula

C23H20N2O5 (C23 H20 N2 O5)

Compound Name

8-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-9-hydroxy-7-methyl-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

IUPAC name

8-[5-(2H-13-benzodioxol-5-yl)-45-dihydro-1H-pyrazol-3-yl]-9-hydroxy-7-methyl-1H2H3H4H-cyclopenta[c]chromen-4-one

SMILES

Cc1cc(OC(C2=C3CCC2)=O)c3c(O)c1C(C1)=NNC1c(cc1)cc2c1OCO2

InChI

InChI=1S/C23H20N2O5/c1-11-7-19-21(13-3-2-4-14(13)23(27)30-19)22(26)20(11)16-9-15(24-25-16)12-5-6-17-18(8-12)29-10-28-17/h5-8,15,24,26H,2-4,9-10H2,1H3/t15-/m1/s1

InChI Key

QUVABAIZQJMEOE-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD12028789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.119

Distribution Coefficient, logD

3.973

Water Solubility, LogSw

-4.32

Polar Surface Area

78.362

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

4.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with Y040-4871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4871?
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What is the minimum amount of Y040-4871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4871
  • 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 Y040-4871 available by request