3532-0768 Screening compound: 2-({8-hexyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)propanoic acid

3532-0768 Screening compound: 2-({8-hexyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)propanoic acid
3532-0768 Screening compound: 2-({8-hexyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3532-0768
2-({8-hexyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)propanoic acid

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

3532-0768

Molecular Formula

C21H26O5 (C21 H26 O5)

Compound Name

2-({8-hexyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)propanoic acid

IUPAC name

2-({8-hexyl-4-oxo-1H2H3H4H-cyclopenta[c]chromen-7-yl}oxy)propanoic acid

SMILES

CCCCCCc(c(OC(C)C(O)=O)c1)cc(C2=C3CCC2)c1OC3=O

InChI

InChI=1S/C21H26O5/c1-3-4-5-6-8-14-11-17-15-9-7-10-16(15)21(24)26-19(17)12-18(14)25-13(2)20(22)23/h11-13H,3-10H2,1-2H3,(H,22,23)/t13-/m0/s1

InChI Key

CBQDOUMZGJALAW-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD01549297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.392

Distribution Coefficient, logD

1.393

Water Solubility, LogSw

-5.07

Polar Surface Area

56.730

Acid Dissociation Constant (pKa)

3.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

3532-0768 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 3532-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3532-0768?
Check Price and Availability of 3532-0768, 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 3532-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3532-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3532-0768
  • 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 3532-0768 available by request