4790-1239 Screening compound: 7-[(3-oxobutan-2-yl)oxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

4790-1239 Screening compound: 7-[(3-oxobutan-2-yl)oxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one
4790-1239 Screening compound: 7-[(3-oxobutan-2-yl)oxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4790-1239
7-[(3-oxobutan-2-yl)oxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

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

4790-1239

Molecular Formula

C16H16O4 (C16 H16 O4)

Compound Name

7-[(3-oxobutan-2-yl)oxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

IUPAC name

7-[(3-oxobutan-2-yl)oxy]-1H2H3H4H-cyclopenta[c]chromen-4-one

SMILES

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

InChI

InChI=1S/C16H16O4/c1-9(17)10(2)19-11-6-7-13-12-4-3-5-14(12)16(18)20-15(13)8-11/h6-8,10H,3-5H2,1-2H3/t10-/m0/s1

InChI Key

VENCPYMMFDTSEL-JTQLQIEISA-N

MDL Number (MFCD)

MFCD01844548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.419

Distribution Coefficient, logD

2.419

Water Solubility, LogSw

-2.89

Polar Surface Area

42.062

Acid Dissociation Constant (pKa)

20.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

4790-1239 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4790-1239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4790-1239?
Check Price and Availability of 4790-1239, 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 4790-1239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4790-1239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4790-1239
  • 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 4790-1239 available by request