Y040-2868 Screening compound: trans-N-(5-methyl-3-isoxazolyl)-4-[(4-oxo-3(4H)-quinazolinyl)methyl]cyclohexanecarboxamide

Y040-2868 Screening compound: trans-N-(5-methyl-3-isoxazolyl)-4-[(4-oxo-3(4H)-quinazolinyl)methyl]cyclohexanecarboxamide
Y040-2868 Screening compound: trans-N-(5-methyl-3-isoxazolyl)-4-[(4-oxo-3(4H)-quinazolinyl)methyl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2868
trans-N-(5-methyl-3-isoxazolyl)-4-[(4-oxo-3(4H)-quinazolinyl)methyl]cyclohexanecarboxamide

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

Y040-2868

Molecular Formula

C20H22N4O3 (C20 H22 N4 O3)

Compound Name

trans-N-(5-methyl-3-isoxazolyl)-4-[(4-oxo-3(4H)-quinazolinyl)methyl]cyclohexanecarboxamide

IUPAC name

(1r4r)-N-(5-methyl-12-oxazol-3-yl)-4-[(4-oxo-34-dihydroquinazolin-3-yl)methyl]cyclohexane-1-carboxamide

SMILES

Cc1cc(NC([C@H]2CC[C@H](CN(C=Nc3c4cccc3)C4=O)CC2)=O)no1

InChI

InChI=1S/C20H22N4O3/c1-13-10-18(23-27-13)22-19(25)15-8-6-14(7-9-15)11-24-12-21-17-5-3-2-4-16(17)20(24)26/h2-5,10,12,14-15H,6-9,11H2,1H3,(H,22,23,25)

InChI Key

OBXAYEPTVCDXMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12925884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.768

Distribution Coefficient, logD

2.677

Water Solubility, LogSw

-3.53

Polar Surface Area

71.418

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

Y040-2868 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-2868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2868?
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What is the minimum amount of Y040-2868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2868
  • 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 Y040-2868 available by request