Y042-0451 Screening compound: 3-(4,8,8-trimethyl-2-oxo-7,8-dihydro-2{H},6{H}-pyrano[3,2-{g}]chromen-3-yl)propanoic acid

Y042-0451 Screening compound: 3-(4,8,8-trimethyl-2-oxo-7,8-dihydro-2{H},6{H}-pyrano[3,2-{g}]chromen-3-yl)propanoic acid
Y042-0451 Screening compound: 3-(4,8,8-trimethyl-2-oxo-7,8-dihydro-2{H},6{H}-pyrano[3,2-{g}]chromen-3-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-0451
3-(4,8,8-trimethyl-2-oxo-7,8-dihydro-2{H},6{H}-pyrano[3,2-{g}]chromen-3-yl)propanoic 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

Y042-0451

Molecular Formula

C18H20O5 (C18 H20 O5)

Compound Name

3-(4,8,8-trimethyl-2-oxo-7,8-dihydro-2{H},6{H}-pyrano[3,2-{g}]chromen-3-yl)propanoic acid

IUPAC name

3-{488-trimethyl-2-oxo-2H6H7H8H-pyrano[32-g]chromen-3-yl}propanoic acid

SMILES

CC(C)(CCc1c2)Oc1cc(O1)c2C(C)=C(CCC(O)=O)C1=O

InChI

InChI=1S/C18H20O5/c1-10-12(4-5-16(19)20)17(21)22-15-9-14-11(8-13(10)15)6-7-18(2,3)23-14/h8-9H,4-7H2,1-3H3,(H,19,20)

InChI Key

MMDLQMJKZVOBMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09843233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.347

Distribution Coefficient, logD

0.850

Water Solubility, LogSw

-3.36

Polar Surface Area

55.877

Acid Dissociation Constant (pKa)

4.91

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

Y042-0451 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

STING Agonist Library (5895 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y042-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-0451?
Check Price and Availability of Y042-0451, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y042-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-0451
  • 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 Y042-0451 available by request