Y041-2112 Screening compound: 4-(ethylsulfanyl)-2-(3-{2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamido)butanoic acid

Y041-2112 Screening compound: 4-(ethylsulfanyl)-2-(3-{2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamido)butanoic acid
Y041-2112 Screening compound: 4-(ethylsulfanyl)-2-(3-{2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamido)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2112
4-(ethylsulfanyl)-2-(3-{2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamido)butanoic 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

Y041-2112

Molecular Formula

C23H27NO6S (C23 H27 NO6 S)

Compound Name

4-(ethylsulfanyl)-2-(3-{2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamido)butanoic acid

IUPAC name

(2R)-4-(ethylsulfanyl)-2-(3-{235-trimethyl-7-oxo-7H-furo[32-g]chromen-6-yl}propanamido)butanoic acid

SMILES

CCSCCC(C(O)=O)NC(CCC1=C(C)c(cc(c(C)c(C)o2)c2c2)c2OC1=O)=O

InChI

InChI=1S/C23H27NO6S/c1-5-31-9-8-18(22(26)27)24-21(25)7-6-15-13(3)17-10-16-12(2)14(4)29-19(16)11-20(17)30-23(15)28/h10-11,18H,5-9H2,1-4H3,(H,24,25)(H,26,27)/t18-/m0/s1

InChI Key

FMPOSKBUOBMXAI-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.007

Distribution Coefficient, logD

-0.610

Water Solubility, LogSw

-3.21

Polar Surface Area

81.617

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

Y041-2112 in Drug Discovery

Included in Screening Libraries

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 Y041-2112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2112?
Check Price and Availability of Y041-2112, 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 Y041-2112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2112
  • 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 Y041-2112 available by request