Y040-6733 Screening compound: 3-(4-bromophenyl)-9-butyl-4-methyl-7H-furo[2,3-f]chromen-7-one

Y040-6733 Screening compound: 3-(4-bromophenyl)-9-butyl-4-methyl-7H-furo[2,3-f]chromen-7-one
Y040-6733 Screening compound: 3-(4-bromophenyl)-9-butyl-4-methyl-7H-furo[2,3-f]chromen-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6733
3-(4-bromophenyl)-9-butyl-4-methyl-7H-furo[2,3-f]chromen-7-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

Y040-6733

Molecular Formula

C22H19BrO3 (C22 H19 BrO3)

Compound Name

3-(4-bromophenyl)-9-butyl-4-methyl-7H-furo[2,3-f]chromen-7-one

IUPAC name

3-(4-bromophenyl)-9-butyl-4-methyl-7H-furo[23-f]chromen-7-one

SMILES

CCCCC(c(c(O1)cc(C)c23)c2occ3-c(cc2)ccc2Br)=CC1=O

InChI

InChI=1S/C22H19BrO3/c1-3-4-5-15-11-19(24)26-18-10-13(2)20-17(12-25-22(20)21(15)18)14-6-8-16(23)9-7-14/h6-12H,3-5H2,1-2H3

InChI Key

QCZRXBGVUURPQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03661672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.658

Distribution Coefficient, logD

6.658

Water Solubility, LogSw

-6.01

Polar Surface Area

30.167

Acid Dissociation Constant (pKa)

27.13

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

Y040-6733 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-6733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6733?
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What is the minimum amount of Y040-6733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6733
  • 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 Y040-6733 available by request