Y040-4876 Screening compound: 2-[5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-hydroxy-3-methyl-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

Y040-4876 Screening compound: 2-[5-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-hydroxy-3-methyl-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one
Y040-4876 Screening compound: 2-[5-(2,5-dimethoxyphenyl)-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 Y040-4876
2-[5-(2,5-dimethoxyphenyl)-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

Y040-4876

Molecular Formula

C25H26N2O5 (C25 H26 N2 O5)

Compound Name

2-[5-(2,5-dimethoxyphenyl)-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-(25-dimethoxyphenyl)-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(cc(cc1)OC)c1OC

InChI

InChI=1S/C25H26N2O5/c1-13-10-21-23(15-6-4-5-7-16(15)25(29)32-21)24(28)22(13)19-12-18(26-27-19)17-11-14(30-2)8-9-20(17)31-3/h8-11,18,26,28H,4-7,12H2,1-3H3/t18-/m1/s1

InChI Key

QFJOZUNOFCTXGN-GOSISDBHSA-N

MDL Number (MFCD)

MFCD12200868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.143

Distribution Coefficient, logD

4.995

Water Solubility, LogSw

-5.03

Polar Surface Area

76.055

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

Y040-4876 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y040-4876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4876?
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What is the minimum amount of Y040-4876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4876
  • 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 Y040-4876 available by request