Y040-9041 Screening compound: 4-(4-CHLOROPHENYL)-1-[3-METHYL-6-(PROPAN-2-YL)-[1,2]OXAZOLO[5,4-B]PYRIDINE-4-CARBONYL]PIPERIDIN-4-OL

Y040-9041 Screening compound: 4-(4-CHLOROPHENYL)-1-[3-METHYL-6-(PROPAN-2-YL)-[1,2]OXAZOLO[5,4-B]PYRIDINE-4-CARBONYL]PIPERIDIN-4-OL
Y040-9041 Screening compound: 4-(4-CHLOROPHENYL)-1-[3-METHYL-6-(PROPAN-2-YL)-[1,2]OXAZOLO[5,4-B]PYRIDINE-4-CARBONYL]PIPERIDIN-4-OL alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9041
4-(4-CHLOROPHENYL)-1-[3-METHYL-6-(PROPAN-2-YL)-[1,2]OXAZOLO[5,4-B]PYRIDINE-4-CARBONYL]PIPERIDIN-4-OL

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

Y040-9041

Molecular Formula

C22H24ClN3O3 (C22 H24 ClN3 O3)

Compound Name

4-(4-CHLOROPHENYL)-1-[3-METHYL-6-(PROPAN-2-YL)-[1,2]OXAZOLO[5,4-B]PYRIDINE-4-CARBONYL]PIPERIDIN-4-OL

IUPAC name

4-(4-chlorophenyl)-1-[3-methyl-6-(propan-2-yl)-[12]oxazolo[54-b]pyridine-4-carbonyl]piperidin-4-ol

SMILES

CC(C)c1cc(C(N(CC2)CCC2(c(cc2)ccc2Cl)O)=O)c(c(C)no2)c2n1

InChI

InChI=1S/C22H24ClN3O3/c1-13(2)18-12-17(19-14(3)25-29-20(19)24-18)21(27)26-10-8-22(28,9-11-26)15-4-6-16(23)7-5-15/h4-7,12-13,28H,8-11H2,1-3H3

InChI Key

YVFIKTCTPJZPGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13756880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.760

Distribution Coefficient, logD

3.760

Water Solubility, LogSw

-4.18

Polar Surface Area

62.515

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

Y040-9041 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-9041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9041?
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What is the minimum amount of Y040-9041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9041
  • 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 Y040-9041 available by request