L471-1749 Screening compound: 1-(4-{5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl}phenyl)azepane

L471-1749 Screening compound: 1-(4-{5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl}phenyl)azepane
L471-1749 Screening compound: 1-(4-{5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl}phenyl)azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound L471-1749
1-(4-{5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl}phenyl)azepane

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

L471-1749

Molecular Formula

C25H28FN5O2 (C25 H28 FN5 O2)

Compound Name

1-(4-{5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,2,4-oxadiazol-3-yl}phenyl)azepane

IUPAC name

1-(4-{5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-124-oxadiazol-3-yl}phenyl)azepane

SMILES

O=C(c1nc(-c(cc2)ccc2N2CCCCCC2)no1)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C25H28FN5O2/c26-21-7-3-4-8-22(21)30-15-17-31(18-16-30)25(32)24-27-23(28-33-24)19-9-11-20(12-10-19)29-13-5-1-2-6-14-29/h3-4,7-12H,1-2,5-6,13-18H2

InChI Key

NPWKAJYNZWVTKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27454792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.032

Distribution Coefficient, logD

5.032

Water Solubility, LogSw

-4.81

Polar Surface Area

55.307

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

L471-1749 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L471-1749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L471-1749?
Check Price and Availability of L471-1749, 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 L471-1749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L471-1749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L471-1749
  • 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 L471-1749 available by request