4789-5006 Screening compound: methyl 2-({6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)butanoate

4789-5006 Screening compound: methyl 2-({6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)butanoate
4789-5006 Screening compound: methyl 2-({6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-5006
methyl 2-({6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-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

4789-5006

Molecular Formula

C18H20O5 (C18 H20 O5)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(OC)=O)Oc(cc1)c(C)c(O2)c1C(CCC1)=C1C2=O

InChI

InChI=1S/C18H20O5/c1-4-14(18(20)21-3)22-15-9-8-12-11-6-5-7-13(11)17(19)23-16(12)10(15)2/h8-9,14H,4-7H2,1-3H3/t14-/m0/s1

InChI Key

ZXFVADJEOCKHRY-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02969172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.35

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

3.621

Distribution Coefficient, logD

3.621

Water Solubility, LogSw

-3.72

Polar Surface Area

49.064

Acid Dissociation Constant (pKa)

22.26

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

4789-5006 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4789-5006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-5006?
Check Price and Availability of 4789-5006, 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 4789-5006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-5006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-5006
  • 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 4789-5006 available by request