Y040-1965 Screening compound: 2-{[3-(1-carboxyethoxy)-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl]oxy}propanoic acid

Y040-1965 Screening compound: 2-{[3-(1-carboxyethoxy)-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl]oxy}propanoic acid
Y040-1965 Screening compound: 2-{[3-(1-carboxyethoxy)-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl]oxy}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-1965
2-{[3-(1-carboxyethoxy)-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl]oxy}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

Y040-1965

Molecular Formula

C19H20O8 (C19 H20 O8)

Compound Name

2-{[3-(1-carboxyethoxy)-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl]oxy}propanoic acid

IUPAC name

2-{[3-(1-carboxyethoxy)-6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-1-yl]oxy}propanoic acid

SMILES

CC(C(O)=O)Oc1cc(OC(C2=C3CCCC2)=O)c3c(OC(C)C(O)=O)c1

InChI

InChI=1S/C19H20O8/c1-9(17(20)21)25-11-7-14(26-10(2)18(22)23)16-12-5-3-4-6-13(12)19(24)27-15(16)8-11/h7-10H,3-6H2,1-2H3,(H,20,21)(H,22,23)

InChI Key

RBCSXPSGEQDPMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01463018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.36

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.717

Distribution Coefficient, logD

-1.282

Water Solubility, LogSw

-2.72

Polar Surface Area

91.562

Acid Dissociation Constant (pKa)

3.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.10

Y040-1965 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-1965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-1965?
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What is the minimum amount of Y040-1965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-1965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-1965
  • 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 Y040-1965 available by request