Y040-6052 Screening compound: 1-(3-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanoyl)pyrrolidine-2-carboxamide

Y040-6052 Screening compound: 1-(3-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanoyl)pyrrolidine-2-carboxamide
Y040-6052 Screening compound: 1-(3-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanoyl)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6052
1-(3-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanoyl)pyrrolidine-2-carboxamide

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

Y040-6052

Molecular Formula

C22H24N2O5 (C22 H24 N2 O5)

Compound Name

1-(3-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanoyl)pyrrolidine-2-carboxamide

IUPAC name

1-(3-{359-trimethyl-7-oxo-7H-furo[32-g]chromen-6-yl}propanoyl)pyrrolidine-2-carboxamide

SMILES

Cc(c1c2)coc1c(C)c(O1)c2C(C)=C(CCC(N(CCC2)C2C(N)=O)=O)C1=O

InChI

InChI=1S/C22H24N2O5/c1-11-10-28-19-13(3)20-16(9-15(11)19)12(2)14(22(27)29-20)6-7-18(25)24-8-4-5-17(24)21(23)26/h9-10,17H,4-8H2,1-3H3,(H2,23,26)/t17-/m0/s1

InChI Key

ULHYQNKZPPXBOL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27959971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.041

Distribution Coefficient, logD

2.041

Water Solubility, LogSw

-2.63

Polar Surface Area

80.877

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

Y040-6052 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with Y040-6052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6052?
Check Price and Availability of Y040-6052, 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 Y040-6052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6052
  • 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 Y040-6052 available by request