3376-8453 Screening compound: benzyl 2-({6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetate

3376-8453 Screening compound: benzyl 2-({6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetate
3376-8453 Screening compound: benzyl 2-({6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3376-8453
benzyl 2-({6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetate

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

3376-8453

Molecular Formula

C22H16O5 (C22 H16 O5)

Compound Name

benzyl 2-({6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetate

IUPAC name

benzyl 2-({6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetate

SMILES

O=C(COc(cc1)cc(O2)c1-c(cccc1)c1C2=O)OCc1ccccc1

InChI

InChI=1S/C22H16O5/c23-21(26-13-15-6-2-1-3-7-15)14-25-16-10-11-18-17-8-4-5-9-19(17)22(24)27-20(18)12-16/h1-12H,13-14H2

InChI Key

KQPAUCUBLRNBMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02081268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.37

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

3.644

Distribution Coefficient, logD

3.644

Water Solubility, LogSw

-4.97

Polar Surface Area

48.650

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3376-8453 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 3376-8453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3376-8453?
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What is the minimum amount of 3376-8453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3376-8453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3376-8453
  • 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 3376-8453 available by request