Y040-1216 Screening compound: 7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

Y040-1216 Screening compound: 7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-1H,2H,3H,4H-cyclopenta[c]chromen-4-one
Y040-1216 Screening compound: 7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-1H,2H,3H,4H-cyclopenta[c]chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-1216
7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-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

Y040-1216

Molecular Formula

C24H23NO4 (C24 H23 NO4)

Compound Name

7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

IUPAC name

7-{2-oxo-2-[4-(pyrrolidin-1-yl)phenyl]ethoxy}-1H2H3H4H-cyclopenta[c]chromen-4-one

SMILES

O=C(COc(cc1)cc(O2)c1C(CCC1)=C1C2=O)c(cc1)ccc1N1CCCC1

InChI

InChI=1S/C24H23NO4/c26-22(16-6-8-17(9-7-16)25-12-1-2-13-25)15-28-18-10-11-20-19-4-3-5-21(19)24(27)29-23(20)14-18/h6-11,14H,1-5,12-13,15H2

InChI Key

AOHMMWGBIVLFHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05991833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.027

Distribution Coefficient, logD

4.027

Water Solubility, LogSw

-4.28

Polar Surface Area

45.740

Acid Dissociation Constant (pKa)

22.29

Base Dissociation Constant (pKb)

9.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y040-1216 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with Y040-1216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-1216?
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What is the minimum amount of Y040-1216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-1216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-1216
  • 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 Y040-1216 available by request