Y040-2490 Screening compound: 2-chloro-3-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

Y040-2490 Screening compound: 2-chloro-3-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one
Y040-2490 Screening compound: 2-chloro-3-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2490
2-chloro-3-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

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

Y040-2490

Molecular Formula

C19H20ClNO4 (C19 H20 ClNO4)

Compound Name

2-chloro-3-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

IUPAC name

2-chloro-3-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]-6H7H8H9H10H-cyclohexa[c]chromen-6-one

SMILES

O=C(COc(cc(c(C1=C2CCCC1)c1)OC2=O)c1Cl)N1CCCC1

InChI

InChI=1S/C19H20ClNO4/c20-15-9-14-12-5-1-2-6-13(12)19(23)25-16(14)10-17(15)24-11-18(22)21-7-3-4-8-21/h9-10H,1-8,11H2

InChI Key

LDTGFGDWEZYUGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03155063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.737

Distribution Coefficient, logD

3.737

Water Solubility, LogSw

-4.23

Polar Surface Area

45.153

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

Y040-2490 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-2490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2490?
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What is the minimum amount of Y040-2490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2490
  • 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 Y040-2490 available by request