E944-0476 Screening compound: 3-[(adamantan-1-yl)[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]propan-1-ol

E944-0476 Screening compound: 3-[(adamantan-1-yl)[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]propan-1-ol
E944-0476 Screening compound: 3-[(adamantan-1-yl)[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound E944-0476
3-[(adamantan-1-yl)[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]propan-1-ol

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

E944-0476

Molecular Formula

C24H27FN4O2 (C24 H27 FN4 O2)

Compound Name

3-[(adamantan-1-yl)[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]propan-1-ol

IUPAC name

3-[(adamantan-1-yl)[3-(4-fluorophenyl)-[12]oxazolo[54-d]pyrimidin-4-yl]amino]propan-1-ol

SMILES

OCCCN(C1(CC(C2)C3)CC3CC2C1)c1c(c(-c(cc2)ccc2F)no2)c2ncn1

InChI

InChI=1S/C24H27FN4O2/c25-19-4-2-18(3-5-19)21-20-22(26-14-27-23(20)31-28-21)29(6-1-7-30)24-11-15-8-16(12-24)10-17(9-15)13-24/h2-5,14-17,30H,1,6-13H2

InChI Key

CAJLGNLPTYSJJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929251

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

422.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.941

Distribution Coefficient, logD

4.940

Water Solubility, LogSw

-5.03

Polar Surface Area

60.835

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

10.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

E944-0476 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E944-0476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E944-0476?
Check Price and Availability of E944-0476, 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 E944-0476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E944-0476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E944-0476
  • 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 E944-0476 available by request