E945-0038 Screening compound: methyl 2-{1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-amido}benzoate

E945-0038 Screening compound: methyl 2-{1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-amido}benzoate
E945-0038 Screening compound: methyl 2-{1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E945-0038
methyl 2-{1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-amido}benzoate

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

E945-0038

Molecular Formula

C25H22FN5O4 (C25 H22 FN5 O4)

Compound Name

methyl 2-{1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-amido}benzoate

IUPAC name

methyl 2-{1-[3-(4-fluorophenyl)-[12]oxazolo[54-d]pyrimidin-4-yl]piperidine-3-amido}benzoate

SMILES

COC(c(cccc1)c1NC(C(CCC1)CN1c1c(c(-c(cc2)ccc2F)no2)c2ncn1)=O)=O

InChI

InChI=1S/C25H22FN5O4/c1-34-25(33)18-6-2-3-7-19(18)29-23(32)16-5-4-12-31(13-16)22-20-21(15-8-10-17(26)11-9-15)30-35-24(20)28-14-27-22/h2-3,6-11,14,16H,4-5,12-13H2,1H3,(H,29,32)/t16-/m0/s1

InChI Key

SALZDNDTCKBFJU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14929280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.820

Distribution Coefficient, logD

3.715

Water Solubility, LogSw

-4.08

Polar Surface Area

89.035

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

E945-0038 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 E945-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E945-0038?
Check Price and Availability of E945-0038, 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 E945-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E945-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E945-0038
  • 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 E945-0038 available by request