Y040-4472 Screening compound: 8-methoxy-7'-[(1-oxo-1-phenylpropan-2-yl)oxy]-2H,2'H-[3,4'-bichromene]-2,2'-dione

Y040-4472 Screening compound: 8-methoxy-7'-[(1-oxo-1-phenylpropan-2-yl)oxy]-2H,2'H-[3,4'-bichromene]-2,2'-dione
Y040-4472 Screening compound: 8-methoxy-7'-[(1-oxo-1-phenylpropan-2-yl)oxy]-2H,2'H-[3,4'-bichromene]-2,2'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4472
8-methoxy-7'-[(1-oxo-1-phenylpropan-2-yl)oxy]-2H,2'H-[3,4'-bichromene]-2,2'-dione

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

Y040-4472

Molecular Formula

C28H20O7 (C28 H20 O7)

Compound Name

8-methoxy-7'-[(1-oxo-1-phenylpropan-2-yl)oxy]-2H,2'H-[3,4'-bichromene]-2,2'-dione

IUPAC name

8-methoxy-7'-[(1-oxo-1-phenylpropan-2-yl)oxy]-2H2'H-[34'-bichromene]-22'-dione

SMILES

CC(C(c1ccccc1)=O)Oc(cc1)cc(O2)c1C(C1=Cc3cccc(OC)c3OC1=O)=CC2=O

InChI

InChI=1S/C28H20O7/c1-16(26(30)17-7-4-3-5-8-17)33-19-11-12-20-21(15-25(29)34-24(20)14-19)22-13-18-9-6-10-23(32-2)27(18)35-28(22)31/h3-16H,1-2H3/t16-/m0/s1

InChI Key

NCJCDHMOVCVFHO-INIZCTEOSA-N

MDL Number (MFCD)

MFCD06493153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.133

Distribution Coefficient, logD

4.133

Water Solubility, LogSw

-4.58

Polar Surface Area

68.867

Acid Dissociation Constant (pKa)

19.93

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.70

Y040-4472 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-4472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4472?
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What is the minimum amount of Y040-4472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4472
  • 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 Y040-4472 available by request