E990-0579 Screening compound: 3-(4-benzylpiperidine-1-carbonyl)-1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine

E990-0579 Screening compound: 3-(4-benzylpiperidine-1-carbonyl)-1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine
E990-0579 Screening compound: 3-(4-benzylpiperidine-1-carbonyl)-1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound E990-0579
3-(4-benzylpiperidine-1-carbonyl)-1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine

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

E990-0579

Molecular Formula

C24H29N5O2 (C24 H29 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc2c1c(N(CCC1)CC1C(N1CCC(Cc3ccccc3)CC1)=O)ncn2

InChI

InChI=1S/C24H29N5O2/c1-17-21-22(25-16-26-23(21)31-27-17)29-11-5-8-20(15-29)24(30)28-12-9-19(10-13-28)14-18-6-3-2-4-7-18/h2-4,6-7,16,19-20H,5,8-15H2,1H3/t20-/m0/s1

InChI Key

NUZSCXLSGCOKCM-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14936734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.906

Distribution Coefficient, logD

3.906

Water Solubility, LogSw

-4.26

Polar Surface Area

61.923

Acid Dissociation Constant (pKa)

20.79

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

E990-0579 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E990-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E990-0579?
Check Price and Availability of E990-0579, 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 E990-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E990-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E990-0579
  • 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 E990-0579 available by request