E990-0568 Screening compound: 1-(1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carbonyl)-1,2,3,4-tetrahydroquinoline

E990-0568 Screening compound: 1-(1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carbonyl)-1,2,3,4-tetrahydroquinoline
E990-0568 Screening compound: 1-(1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carbonyl)-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound E990-0568
1-(1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carbonyl)-1,2,3,4-tetrahydroquinoline

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

E990-0568

Molecular Formula

C21H23N5O2 (C21 H23 N5 O2)

Compound Name

1-(1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carbonyl)-1,2,3,4-tetrahydroquinoline

IUPAC name

1-(1-{3-methyl-[12]oxazolo[54-d]pyrimidin-4-yl}piperidine-3-carbonyl)-1234-tetrahydroquinoline

SMILES

Cc1noc2c1c(N(CCC1)CC1C(N(CCC1)c3c1cccc3)=O)ncn2

InChI

InChI=1S/C21H23N5O2/c1-14-18-19(22-13-23-20(18)28-24-14)25-10-4-8-16(12-25)21(27)26-11-5-7-15-6-2-3-9-17(15)26/h2-3,6,9,13,16H,4-5,7-8,10-12H2,1H3/t16-/m0/s1

InChI Key

LGHJYYQRHBVLQJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14936729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.088

Distribution Coefficient, logD

3.087

Water Solubility, LogSw

-3.48

Polar Surface Area

60.859

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

E990-0568 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Akt-Targeted Library (14764 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E990-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E990-0568?
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What is the minimum amount of E990-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E990-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E990-0568
  • 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 E990-0568 available by request