E944-0467 Screening compound: ethyl 2-{[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino}-4-methylpentanoate

E944-0467 Screening compound: ethyl 2-{[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino}-4-methylpentanoate
E944-0467 Screening compound: ethyl 2-{[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino}-4-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E944-0467
ethyl 2-{[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino}-4-methylpentanoate

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

E944-0467

Molecular Formula

C19H21FN4O3 (C19 H21 FN4 O3)

Compound Name

ethyl 2-{[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino}-4-methylpentanoate

IUPAC name

ethyl 2-{[3-(4-fluorophenyl)-[12]oxazolo[54-d]pyrimidin-4-yl]amino}-4-methylpentanoate

SMILES

CCOC(C(CC(C)C)Nc1c(c(-c(cc2)ccc2F)no2)c2ncn1)=O

InChI

InChI=1S/C19H21FN4O3/c1-4-26-19(25)14(9-11(2)3)23-17-15-16(12-5-7-13(20)8-6-12)24-27-18(15)22-10-21-17/h5-8,10-11,14H,4,9H2,1-3H3,(H,21,22,23)/t14-/m0/s1

InChI Key

ZWSOOPKVTJNOOE-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14929248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.819

Distribution Coefficient, logD

3.819

Water Solubility, LogSw

-4.22

Polar Surface Area

73.679

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

E944-0467 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

MCL1 Targeted Library (12200 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E944-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E944-0467?
Check Price and Availability of E944-0467, 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 E944-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E944-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E944-0467
  • 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 E944-0467 available by request