Y040-3977 Screening compound: 3-{7-[(3,4-dichlorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}propanoic acid

Y040-3977 Screening compound: 3-{7-[(3,4-dichlorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}propanoic acid
Y040-3977 Screening compound: 3-{7-[(3,4-dichlorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3977
3-{7-[(3,4-dichlorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-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

Y040-3977

Molecular Formula

C21H18Cl2O5 (C21 H18 Cl2 O5)

Compound Name

3-{7-[(3,4-dichlorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}propanoic acid

IUPAC name

3-{7-[(34-dichlorophenyl)methoxy]-48-dimethyl-2-oxo-2H-chromen-3-yl}propanoic acid

SMILES

Cc(c(O1)c(cc2)C(C)=C(CCC(O)=O)C1=O)c2OCc(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C21H18Cl2O5/c1-11-14-4-7-18(27-10-13-3-6-16(22)17(23)9-13)12(2)20(14)28-21(26)15(11)5-8-19(24)25/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,24,25)

InChI Key

PKOWHHVCTXWLDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03851493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.305

Distribution Coefficient, logD

2.809

Water Solubility, LogSw

-5.48

Polar Surface Area

56.542

Acid Dissociation Constant (pKa)

4.91

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

Y040-3977 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-3977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3977?
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What is the minimum amount of Y040-3977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3977
  • 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 Y040-3977 available by request