5694-0014 Screening compound: 7-[(3-chlorophenyl)methoxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

5694-0014 Screening compound: 7-[(3-chlorophenyl)methoxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one
5694-0014 Screening compound: 7-[(3-chlorophenyl)methoxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5694-0014
7-[(3-chlorophenyl)methoxy]-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

5694-0014

Molecular Formula

C19H15ClO3 (C19 H15 ClO3)

Compound Name

7-[(3-chlorophenyl)methoxy]-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

IUPAC name

7-[(3-chlorophenyl)methoxy]-1H2H3H4H-cyclopenta[c]chromen-4-one

SMILES

O=C1Oc(cc(cc2)OCc3cccc(Cl)c3)c2C2=C1CCC2

InChI

InChI=1S/C19H15ClO3/c20-13-4-1-3-12(9-13)11-22-14-7-8-16-15-5-2-6-17(15)19(21)23-18(16)10-14/h1,3-4,7-10H,2,5-6,11H2

InChI Key

QZVYSMBDMUYEDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02331020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.561

Distribution Coefficient, logD

4.561

Water Solubility, LogSw

-4.77

Polar Surface Area

28.674

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

5694-0014 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5694-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5694-0014?
Check Price and Availability of 5694-0014, 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 5694-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5694-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5694-0014
  • 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 5694-0014 available by request