5694-0053 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl (2E)-3-(4-methoxyphenyl)prop-2-enoate

5694-0053 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl (2E)-3-(4-methoxyphenyl)prop-2-enoate
5694-0053 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl (2E)-3-(4-methoxyphenyl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5694-0053
4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl (2E)-3-(4-methoxyphenyl)prop-2-enoate

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

5694-0053

Molecular Formula

C22H18O5 (C22 H18 O5)

Compound Name

4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl (2E)-3-(4-methoxyphenyl)prop-2-enoate

IUPAC name

4-oxo-1H2H3H4H-cyclopenta[c]chromen-7-yl (2E)-3-(4-methoxyphenyl)prop-2-enoate

SMILES

COc1ccc(/C=C/C(Oc(cc2)cc(O3)c2C(CCC2)=C2C3=O)=O)cc1

InChI

InChI=1S/C22H18O5/c1-25-15-8-5-14(6-9-15)7-12-21(23)26-16-10-11-18-17-3-2-4-19(17)22(24)27-20(18)13-16/h5-13H,2-4H2,1H3

InChI Key

YYIXAUFSQDORQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01530519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.38

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

4.046

Distribution Coefficient, logD

4.046

Water Solubility, LogSw

-4.41

Polar Surface Area

48.773

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

5694-0053 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 5694-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5694-0053?
Check Price and Availability of 5694-0053, 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 5694-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5694-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5694-0053
  • 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 5694-0053 available by request