E990-0580 Screening compound: 1-(1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carbonyl)-4-[3-(trifluoromethyl)phenyl]piperazine

E990-0580 Screening compound: 1-(1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carbonyl)-4-[3-(trifluoromethyl)phenyl]piperazine
E990-0580 Screening compound: 1-(1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carbonyl)-4-[3-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E990-0580
1-(1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine-3-carbonyl)-4-[3-(trifluoromethyl)phenyl]piperazine

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

E990-0580

Molecular Formula

C23H25F3N6O2 (C23 H25 F3 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc2c1c(N(CCC1)CC1C(N(CC1)CCN1c1cccc(C(F)(F)F)c1)=O)ncn2

InChI

InChI=1S/C23H25F3N6O2/c1-15-19-20(27-14-28-21(19)34-29-15)32-7-3-4-16(13-32)22(33)31-10-8-30(9-11-31)18-6-2-5-17(12-18)23(24,25)26/h2,5-6,12,14,16H,3-4,7-11,13H2,1H3/t16-/m0/s1

InChI Key

AJGYHBQPQUMSFZ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14936735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.371

Distribution Coefficient, logD

3.371

Water Solubility, LogSw

-3.81

Polar Surface Area

65.455

Acid Dissociation Constant (pKa)

20.79

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

E990-0580 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E990-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E990-0580?
Check Price and Availability of E990-0580, 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 E990-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E990-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E990-0580
  • 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 E990-0580 available by request