E990-0077 Screening compound: 1-{3-METHYL-[1,2]OXAZOLO[5,4-D]PYRIMIDIN-4-YL}-N-(1,3-THIAZOL-2-YL)PIPERIDINE-4-CARBOXAMIDE

E990-0077 Screening compound: 1-{3-METHYL-[1,2]OXAZOLO[5,4-D]PYRIMIDIN-4-YL}-N-(1,3-THIAZOL-2-YL)PIPERIDINE-4-CARBOXAMIDE
E990-0077 Screening compound: 1-{3-METHYL-[1,2]OXAZOLO[5,4-D]PYRIMIDIN-4-YL}-N-(1,3-THIAZOL-2-YL)PIPERIDINE-4-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E990-0077
1-{3-METHYL-[1,2]OXAZOLO[5,4-D]PYRIMIDIN-4-YL}-N-(1,3-THIAZOL-2-YL)PIPERIDINE-4-CARBOXAMIDE

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

E990-0077

Molecular Formula

C15H16N6O2S (C15 H16 N6 O2 S)

Compound Name

1-{3-METHYL-[1,2]OXAZOLO[5,4-D]PYRIMIDIN-4-YL}-N-(1,3-THIAZOL-2-YL)PIPERIDINE-4-CARBOXAMIDE

IUPAC name

1-{3-methyl-[12]oxazolo[54-d]pyrimidin-4-yl}-N-(13-thiazol-2-yl)piperidine-4-carboxamide

SMILES

Cc1noc2c1c(N(CC1)CCC1C(Nc1nccs1)=O)ncn2

InChI

InChI=1S/C15H16N6O2S/c1-9-11-12(17-8-18-14(11)23-20-9)21-5-2-10(3-6-21)13(22)19-15-16-4-7-24-15/h4,7-8,10H,2-3,5-6H2,1H3,(H,16,19,22)

InChI Key

CXFRBCSUQBQSJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14936505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.887

Distribution Coefficient, logD

1.884

Water Solubility, LogSw

-2.59

Polar Surface Area

79.182

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E990-0077 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Aurora A-B Kinases Targeted Library (9426 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
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E990-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E990-0077?
Check Price and Availability of E990-0077, 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 E990-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E990-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E990-0077
  • 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 E990-0077 available by request