D715-1122 Screening compound: 3-{4,8-dimethyl-7-[(4-methylphenyl)methoxy]-2-oxo-2H-chromen-3-yl}propanoic acid

D715-1122 Screening compound: 3-{4,8-dimethyl-7-[(4-methylphenyl)methoxy]-2-oxo-2H-chromen-3-yl}propanoic acid
D715-1122 Screening compound: 3-{4,8-dimethyl-7-[(4-methylphenyl)methoxy]-2-oxo-2H-chromen-3-yl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-1122
3-{4,8-dimethyl-7-[(4-methylphenyl)methoxy]-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

D715-1122

Molecular Formula

C22H22O5 (C22 H22 O5)

Compound Name

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

IUPAC name

3-{48-dimethyl-7-[(4-methylphenyl)methoxy]-2-oxo-2H-chromen-3-yl}propanoic acid

SMILES

Cc1ccc(COc(cc2)c(C)c(O3)c2C(C)=C(CCC(O)=O)C3=O)cc1

InChI

InChI=1S/C22H22O5/c1-13-4-6-16(7-5-13)12-26-19-10-8-17-14(2)18(9-11-20(23)24)22(25)27-21(17)15(19)3/h4-8,10H,9,11-12H2,1-3H3,(H,23,24)

InChI Key

ONERJKRFKMWSSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03852391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.41

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

4.362

Distribution Coefficient, logD

1.865

Water Solubility, LogSw

-4.51

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

27.30

D715-1122 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 D715-1122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-1122?
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What is the minimum amount of D715-1122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-1122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-1122
  • 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 D715-1122 available by request