4789-4982 Screening compound: methyl 2-({6-oxo-6H-benzo[c]chromen-3-yl}oxy)butanoate

4789-4982 Screening compound: methyl 2-({6-oxo-6H-benzo[c]chromen-3-yl}oxy)butanoate
4789-4982 Screening compound: methyl 2-({6-oxo-6H-benzo[c]chromen-3-yl}oxy)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-4982
methyl 2-({6-oxo-6H-benzo[c]chromen-3-yl}oxy)butanoate

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

4789-4982

Molecular Formula

C18H16O5 (C18 H16 O5)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(OC)=O)Oc(cc1)cc(O2)c1-c(cccc1)c1C2=O

InChI

InChI=1S/C18H16O5/c1-3-15(18(20)21-2)22-11-8-9-13-12-6-4-5-7-14(12)17(19)23-16(13)10-11/h4-10,15H,3H2,1-2H3/t15-/m0/s1

InChI Key

PGKDJZMJACWPLJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02969148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.126

Distribution Coefficient, logD

3.126

Water Solubility, LogSw

-3.79

Polar Surface Area

48.735

Acid Dissociation Constant (pKa)

22.26

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

4789-4982 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4789-4982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-4982?
Check Price and Availability of 4789-4982, 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 4789-4982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-4982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-4982
  • 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 4789-4982 available by request