Y040-3706 Screening compound: 1-(3-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanoyl)pyrrolidine-2-carboxylic acid

Y040-3706 Screening compound: 1-(3-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanoyl)pyrrolidine-2-carboxylic acid
Y040-3706 Screening compound: 1-(3-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanoyl)pyrrolidine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3706
1-(3-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanoyl)pyrrolidine-2-carboxylic 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

Y040-3706

Molecular Formula

C21H21NO6 (C21 H21 NO6)

Compound Name

1-(3-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanoyl)pyrrolidine-2-carboxylic acid

IUPAC name

(2S)-1-(3-{35-dimethyl-7-oxo-7H-furo[32-g]chromen-6-yl}propanoyl)pyrrolidine-2-carboxylic acid

SMILES

Cc(c1c2)coc1cc(O1)c2C(C)=C(CCC(N(CCC2)C2C(O)=O)=O)C1=O

InChI

InChI=1S/C21H21NO6/c1-11-10-27-17-9-18-15(8-14(11)17)12(2)13(21(26)28-18)5-6-19(23)22-7-3-4-16(22)20(24)25/h8-10,16H,3-7H2,1-2H3,(H,24,25)/t16-/m0/s1

InChI Key

XVQLNVLPHFZEJH-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.804

Distribution Coefficient, logD

-1.898

Water Solubility, LogSw

-2.07

Polar Surface Area

75.309

Acid Dissociation Constant (pKa)

3.70

Base Dissociation Constant (pKb)

-4.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

Y040-3706 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 Y040-3706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3706?
Check Price and Availability of Y040-3706, 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 Y040-3706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3706
  • 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 Y040-3706 available by request