Y041-1888 Screening compound: 3-methyl-2-[2-(3-{2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamido)acetamido]pentanoic acid

Y041-1888 Screening compound: 3-methyl-2-[2-(3-{2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamido)acetamido]pentanoic acid
Y041-1888 Screening compound: 3-methyl-2-[2-(3-{2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamido)acetamido]pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1888
3-methyl-2-[2-(3-{2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamido)acetamido]pentanoic 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

Y041-1888

Molecular Formula

C25H30N2O7 (C25 H30 N2 O7)

Compound Name

3-methyl-2-[2-(3-{2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamido)acetamido]pentanoic acid

IUPAC name

(2R3R)-3-methyl-2-[2-(3-{235-trimethyl-7-oxo-7H-furo[32-g]chromen-6-yl}propanamido)acetamido]pentanoic acid

SMILES

CC[C@H](C)[C@@H](C(O)=O)NC(CNC(CCC1=C(C)c(cc(c(C)c(C)o2)c2c2)c2OC1=O)=O)=O

InChI

InChI=1S/C25H30N2O7/c1-6-12(2)23(24(30)31)27-22(29)11-26-21(28)8-7-16-14(4)18-9-17-13(3)15(5)33-19(17)10-20(18)34-25(16)32/h9-10,12,23H,6-8,11H2,1-5H3,(H,26,28)(H,27,29)(H,30,31)/t12-,23-/m0/s1

InChI Key

MLXKVTZAZDKCPN-MYODQAERSA-N

MDL Number (MFCD)

MFCD10041503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.293

Distribution Coefficient, logD

-1.336

Water Solubility, LogSw

-2.50

Polar Surface Area

105.811

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

Y041-1888 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • 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 Y041-1888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1888?
Check Price and Availability of Y041-1888, 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 Y041-1888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1888
  • 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 Y041-1888 available by request