4789-5113 Screening compound: butan-2-yl 2-({6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)propanoate

4789-5113 Screening compound: butan-2-yl 2-({6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)propanoate
4789-5113 Screening compound: butan-2-yl 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 4789-5113
butan-2-yl 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

4789-5113

Molecular Formula

C20H24O5 (C20 H24 O5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H24O5/c1-5-11(2)23-19(21)13(4)24-17-10-9-15-14-7-6-8-16(14)20(22)25-18(15)12(17)3/h9-11,13H,5-8H2,1-4H3

InChI Key

FDEWXVOOOLWMPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02969278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

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

4.340

Distribution Coefficient, logD

4.340

Water Solubility, LogSw

-4.40

Polar Surface Area

48.322

Acid Dissociation Constant (pKa)

23.06

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

4789-5113 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 4789-5113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-5113?
Check Price and Availability of 4789-5113, 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 4789-5113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-5113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-5113
  • 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 4789-5113 available by request