E899-0145 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

E899-0145 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
E899-0145 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E899-0145
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

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

E899-0145

Molecular Formula

C19H13FN4O3 (C19 H13 FN4 O3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(4-fluorophenyl)-[12]oxazolo[54-d]pyrimidin-4-amine

SMILES

Fc(cc1)ccc1-c1noc2ncnc(NCc(cc3)cc4c3OCO4)c12

InChI

InChI=1S/C19H13FN4O3/c20-13-4-2-12(3-5-13)17-16-18(22-9-23-19(16)27-24-17)21-8-11-1-6-14-15(7-11)26-10-25-14/h1-7,9H,8,10H2,(H,21,22,23)

InChI Key

VCVSBPFAGGCPBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14926692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.422

Distribution Coefficient, logD

3.422

Water Solubility, LogSw

-3.86

Polar Surface Area

70.139

Acid Dissociation Constant (pKa)

17.99

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

E899-0145 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

MCL1 Targeted Library (12200 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • 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 E899-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E899-0145?
Check Price and Availability of E899-0145, 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 E899-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E899-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E899-0145
  • 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 E899-0145 available by request