F531-0998 Screening compound: 5-chloro-2-{4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl}-1H-indole

F531-0998 Screening compound: 5-chloro-2-{4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl}-1H-indole
F531-0998 Screening compound: 5-chloro-2-{4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound F531-0998
5-chloro-2-{4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl}-1H-indole

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

F531-0998

Molecular Formula

C25H24ClN5O2 (C25 H24 ClN5 O2)

Compound Name

5-chloro-2-{4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl}-1H-indole

IUPAC name

5-chloro-2-{4-[4-(5-cyclobutyl-124-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl}-1H-indole

SMILES

O=C(c1cc(cc(cc2)Cl)c2[nH]1)N(CC1)CCN1c(cc1)ccc1-c1noc(C2CCC2)n1

InChI

InChI=1S/C25H24ClN5O2/c26-19-6-9-21-18(14-19)15-22(27-21)25(32)31-12-10-30(11-13-31)20-7-4-16(5-8-20)23-28-24(33-29-23)17-2-1-3-17/h4-9,14-15,17,27H,1-3,10-13H2

InChI Key

PLLHBUUTPHNXMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27172934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.752

Distribution Coefficient, logD

5.752

Water Solubility, LogSw

-6.11

Polar Surface Area

61.425

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

F531-0998 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F531-0998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F531-0998?
Check Price and Availability of F531-0998, 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 F531-0998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F531-0998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F531-0998
  • 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 F531-0998 available by request