Y040-4873 Screening compound: 2-{5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-1-hydroxy-3-methyl-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

Y040-4873 Screening compound: 2-{5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-1-hydroxy-3-methyl-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one
Y040-4873 Screening compound: 2-{5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-1-hydroxy-3-methyl-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4873
2-{5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-1-hydroxy-3-methyl-6H,7H,8H,9H,10H-cyclohexa[c]chromen-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

Y040-4873

Molecular Formula

C25H27N3O3 (C25 H27 N3 O3)

Compound Name

2-{5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-1-hydroxy-3-methyl-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

IUPAC name

2-{5-[4-(dimethylamino)phenyl]-45-dihydro-1H-pyrazol-3-yl}-1-hydroxy-3-methyl-6H7H8H9H10H-cyclohexa[c]chromen-6-one

SMILES

Cc1cc(OC(C2=C3CCCC2)=O)c3c(O)c1C(C1)=NNC1c(cc1)ccc1N(C)C

InChI

InChI=1S/C25H27N3O3/c1-14-12-21-23(17-6-4-5-7-18(17)25(30)31-21)24(29)22(14)20-13-19(26-27-20)15-8-10-16(11-9-15)28(2)3/h8-12,19,26,29H,4-7,13H2,1-3H3/t19-/m1/s1

InChI Key

AJOMTVRFNFPICQ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD12203317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.133

Distribution Coefficient, logD

4.985

Water Solubility, LogSw

-5.05

Polar Surface Area

63.685

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with Y040-4873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4873?
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What is the minimum amount of Y040-4873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4873
  • 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 Y040-4873 available by request