Y040-8255 Screening compound: 1-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-1,3-bis(propan-2-yl)urea

Y040-8255 Screening compound: 1-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-1,3-bis(propan-2-yl)urea
Y040-8255 Screening compound: 1-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-1,3-bis(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8255
1-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-1,3-bis(propan-2-yl)urea

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

Y040-8255

Molecular Formula

C22H30N2O5 (C22 H30 N2 O5)

Compound Name

1-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-1,3-bis(propan-2-yl)urea

IUPAC name

1-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-13-bis(propan-2-yl)urea

SMILES

CCC(c(ccc(OC(C)C(N(C(C)C)C(NC(C)C)=O)=O)c1C)c1O1)=CC1=O

InChI

InChI=1S/C22H30N2O5/c1-8-16-11-19(25)29-20-14(6)18(10-9-17(16)20)28-15(7)21(26)24(13(4)5)22(27)23-12(2)3/h9-13,15H,8H2,1-7H3,(H,23,27)/t15-/m0/s1

InChI Key

XCTPJPRZRKREBN-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03660374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.868

Distribution Coefficient, logD

3.868

Water Solubility, LogSw

-4.09

Polar Surface Area

65.265

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

Y040-8255 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-8255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8255?
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What is the minimum amount of Y040-8255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8255
  • 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 Y040-8255 available by request