Y041-9853 Screening compound: 4-{[(8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]methyl}-5-methyl-2-furoic acid

Y041-9853 Screening compound: 4-{[(8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]methyl}-5-methyl-2-furoic acid
Y041-9853 Screening compound: 4-{[(8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]methyl}-5-methyl-2-furoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-9853
4-{[(8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]methyl}-5-methyl-2-furoic acid

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

Y041-9853

Molecular Formula

C22H18O7 (C22 H18 O7)

Compound Name

4-{[(8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]methyl}-5-methyl-2-furoic acid

IUPAC name

4-[({8-methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)methyl]-5-methylfuran-2-carboxylic acid

SMILES

Cc1c(COc(cc2)c(C)c(O3)c2-c(ccc(OC)c2)c2C3=O)cc(C(O)=O)o1

InChI

InChI=1S/C22H18O7/c1-11-18(27-10-13-8-19(21(23)24)28-12(13)2)7-6-16-15-5-4-14(26-3)9-17(15)22(25)29-20(11)16/h4-9H,10H2,1-3H3,(H,23,24)

InChI Key

AFKUGLYNSVXIGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02924296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.863

Distribution Coefficient, logD

0.573

Water Solubility, LogSw

-5.11

Polar Surface Area

72.164

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

Y041-9853 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-9853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-9853?
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What is the minimum amount of Y041-9853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-9853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-9853
  • 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 Y041-9853 available by request