4789-5242 Screening compound: benzyl 2-({6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)propanoate

4789-5242 Screening compound: benzyl 2-({6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)propanoate
4789-5242 Screening compound: benzyl 2-({6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-5242
benzyl 2-({6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)propanoate

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

4789-5242

Molecular Formula

C23H22O5 (C23 H22 O5)

Compound Name

benzyl 2-({6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)propanoate

IUPAC name

benzyl 2-({6-methyl-4-oxo-1H2H3H4H-cyclopenta[c]chromen-7-yl}oxy)propanoate

SMILES

CC(C(OCc1ccccc1)=O)Oc(cc1)c(C)c(O2)c1C(CCC1)=C1C2=O

InChI

InChI=1S/C23H22O5/c1-14-20(27-15(2)22(24)26-13-16-7-4-3-5-8-16)12-11-18-17-9-6-10-19(17)23(25)28-21(14)18/h3-5,7-8,11-12,15H,6,9-10,13H2,1-2H3/t15-/m0/s1

InChI Key

QSAFZFKBCNCDHV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02969405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.481

Distribution Coefficient, logD

4.481

Water Solubility, LogSw

-4.73

Polar Surface Area

48.864

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

4789-5242 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4789-5242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-5242?
Check Price and Availability of 4789-5242, 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 4789-5242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-5242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-5242
  • 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 4789-5242 available by request