E899-0158 Screening compound: 1-(2,5-dimethylphenyl)-4-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazine

E899-0158 Screening compound: 1-(2,5-dimethylphenyl)-4-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazine
E899-0158 Screening compound: 1-(2,5-dimethylphenyl)-4-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E899-0158
1-(2,5-dimethylphenyl)-4-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]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

E899-0158

Molecular Formula

C23H22FN5O (C23 H22 FN5 O)

Compound Name

1-(2,5-dimethylphenyl)-4-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperazine

IUPAC name

1-(25-dimethylphenyl)-4-[3-(4-fluorophenyl)-[12]oxazolo[54-d]pyrimidin-4-yl]piperazine

SMILES

Cc1cc(N(CC2)CCN2c2c(c(-c(cc3)ccc3F)no3)c3ncn2)c(C)cc1

InChI

InChI=1S/C23H22FN5O/c1-15-3-4-16(2)19(13-15)28-9-11-29(12-10-28)22-20-21(17-5-7-18(24)8-6-17)27-30-23(20)26-14-25-22/h3-8,13-14H,9-12H2,1-2H3

InChI Key

PNQBIHBOOFACJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14926703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.430

Distribution Coefficient, logD

5.430

Water Solubility, LogSw

-5.64

Polar Surface Area

48.494

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E899-0158 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E899-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E899-0158?
Check Price and Availability of E899-0158, 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 E899-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E899-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E899-0158
  • 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 E899-0158 available by request