E899-0236 Screening compound: N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

E899-0236 Screening compound: N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
E899-0236 Screening compound: N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E899-0236
N-benzyl-N-[2-(dimethylamino)ethyl]-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

E899-0236

Molecular Formula

C22H22FN5O (C22 H22 FN5 O)

Compound Name

N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

IUPAC name

N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-[12]oxazolo[54-d]pyrimidin-4-amine

SMILES

CN(C)CCN(Cc1ccccc1)c1c(c(-c(cc2)ccc2F)no2)c2ncn1

InChI

InChI=1S/C22H22FN5O/c1-27(2)12-13-28(14-16-6-4-3-5-7-16)21-19-20(17-8-10-18(23)11-9-17)26-29-22(19)25-15-24-21/h3-11,15H,12-14H2,1-2H3

InChI Key

MMCLOWUGDVXJTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14926733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.925

Distribution Coefficient, logD

2.961

Water Solubility, LogSw

-4.16

Polar Surface Area

48.941

Acid Dissociation Constant (pKa)

20.16

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E899-0236 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E899-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E899-0236?
Check Price and Availability of E899-0236, 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 E899-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E899-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E899-0236
  • 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 E899-0236 available by request