Y041-2092 Screening compound: 3-{[2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino}propanoic acid

Y041-2092 Screening compound: 3-{[2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino}propanoic acid
Y041-2092 Screening compound: 3-{[2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2092
3-{[2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino}propanoic 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

Y041-2092

Molecular Formula

C21H21NO6 (C21 H21 NO6)

Compound Name

3-{[2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino}propanoic acid

IUPAC name

3-(2-{7-methyl-5-oxo-417-dioxatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-13(8)6911(16)-pentaen-6-yl}acetamido)propanoic acid

SMILES

CC(c(cc(c(CCCC1)c1o1)c1c1)c1O1)=C(CC(NCCC(O)=O)=O)C1=O

InChI

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

InChI Key

AEVSEJRAHLUEDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04144717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.786

Distribution Coefficient, logD

-0.909

Water Solubility, LogSw

-2.10

Polar Surface Area

81.972

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

Y041-2092 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with Y041-2092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2092?
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What is the minimum amount of Y041-2092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2092
  • 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 Y041-2092 available by request