F531-0014 Screening compound: N-(3-methyl-1-{4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}-1-oxobutan-2-yl)furan-2-carboxamide

F531-0014 Screening compound: N-(3-methyl-1-{4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}-1-oxobutan-2-yl)furan-2-carboxamide
F531-0014 Screening compound: N-(3-methyl-1-{4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}-1-oxobutan-2-yl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F531-0014
N-(3-methyl-1-{4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}-1-oxobutan-2-yl)furan-2-carboxamide

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

F531-0014

Molecular Formula

C23H27N5O4 (C23 H27 N5 O4)

Compound Name

N-(3-methyl-1-{4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}-1-oxobutan-2-yl)furan-2-carboxamide

IUPAC name

N-(3-methyl-1-{4-[4-(5-methyl-124-oxadiazol-3-yl)phenyl]piperazin-1-yl}-1-oxobutan-2-yl)furan-2-carboxamide

SMILES

CC(C)C(C(N(CC1)CCN1c(cc1)ccc1-c1noc(C)n1)=O)NC(c1ccco1)=O

InChI

InChI=1S/C23H27N5O4/c1-15(2)20(25-22(29)19-5-4-14-31-19)23(30)28-12-10-27(11-13-28)18-8-6-17(7-9-18)21-24-16(3)32-26-21/h4-9,14-15,20H,10-13H2,1-3H3,(H,25,29)/t20-/m0/s1

InChI Key

WICOWBZWHWUBNR-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27172610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.965

Distribution Coefficient, logD

2.965

Water Solubility, LogSw

-3.24

Polar Surface Area

83.668

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

F531-0014 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)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F531-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F531-0014?
Check Price and Availability of F531-0014, 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 F531-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F531-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F531-0014
  • 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 F531-0014 available by request