G280-0386 Screening compound: ethyl 4-({[1-(2-fluorobenzyl)-4-piperidyl]methyl}amino)isoxazolo[5,4-d]pyrimidine-3-carboxylate

G280-0386 Screening compound: ethyl 4-({[1-(2-fluorobenzyl)-4-piperidyl]methyl}amino)isoxazolo[5,4-d]pyrimidine-3-carboxylate
G280-0386 Screening compound: ethyl 4-({[1-(2-fluorobenzyl)-4-piperidyl]methyl}amino)isoxazolo[5,4-d]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G280-0386
ethyl 4-({[1-(2-fluorobenzyl)-4-piperidyl]methyl}amino)isoxazolo[5,4-d]pyrimidine-3-carboxylate

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

G280-0386

Molecular Formula

C21H24FN5O3 (C21 H24 FN5 O3)

Compound Name

ethyl 4-({[1-(2-fluorobenzyl)-4-piperidyl]methyl}amino)isoxazolo[5,4-d]pyrimidine-3-carboxylate

IUPAC name

ethyl 4-[({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)amino]-[12]oxazolo[54-d]pyrimidine-3-carboxylate

SMILES

CCOC(c1noc2c1c(NCC1CCN(Cc(cccc3)c3F)CC1)ncn2)=O

InChI

InChI=1S/C21H24FN5O3/c1-2-29-21(28)18-17-19(24-13-25-20(17)30-26-18)23-11-14-7-9-27(10-8-14)12-15-5-3-4-6-16(15)22/h3-6,13-14H,2,7-12H2,1H3,(H,23,24,25)

InChI Key

JRWLSHAKWNHLRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14993580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.403

Distribution Coefficient, logD

1.654

Water Solubility, LogSw

-3.69

Polar Surface Area

77.781

Acid Dissociation Constant (pKa)

16.62

Base Dissociation Constant (pKb)

9.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

G280-0386 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G280-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G280-0386?
Check Price and Availability of G280-0386, 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 G280-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G280-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G280-0386
  • 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 G280-0386 available by request