Y040-1294 Screening compound: 6-{[(8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]methyl}-5-ethoxy-1-methyl-4-phenyl-3,4-dihydro-2(1H)-pyrimidinone

Y040-1294 Screening compound: 6-{[(8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]methyl}-5-ethoxy-1-methyl-4-phenyl-3,4-dihydro-2(1H)-pyrimidinone
Y040-1294 Screening compound: 6-{[(8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]methyl}-5-ethoxy-1-methyl-4-phenyl-3,4-dihydro-2(1H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-1294
6-{[(8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]methyl}-5-ethoxy-1-methyl-4-phenyl-3,4-dihydro-2(1H)-pyrimidinone

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

Y040-1294

Molecular Formula

C26H25ClN2O5 (C26 H25 ClN2 O5)

Compound Name

6-{[(8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]methyl}-5-ethoxy-1-methyl-4-phenyl-3,4-dihydro-2(1H)-pyrimidinone

IUPAC name

6-[({8-chloro-4-oxo-1H2H3H4H-cyclopenta[c]chromen-7-yl}oxy)methyl]-5-ethoxy-1-methyl-4-phenyl-1234-tetrahydropyrimidin-2-one

SMILES

CCOC(C(c1ccccc1)N1)=C(COc(cc(c(C2=C3CCC2)c2)OC3=O)c2Cl)N(C)C1=O

InChI

InChI=1S/C26H25ClN2O5/c1-3-32-24-20(29(2)26(31)28-23(24)15-8-5-4-6-9-15)14-33-22-13-21-18(12-19(22)27)16-10-7-11-17(16)25(30)34-21/h4-6,8-9,12-13,23H,3,7,10-11,14H2,1-2H3,(H,28,31)/t23-/m1/s1

InChI Key

GYIUNXXYTXXROE-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03469221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.875

Distribution Coefficient, logD

4.875

Water Solubility, LogSw

-4.98

Polar Surface Area

64.000

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

Y040-1294 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 Y040-1294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-1294?
Check Price and Availability of Y040-1294, 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 Y040-1294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-1294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-1294
  • 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 Y040-1294 available by request