L461-0395 Screening compound: 1-(4-phenylpiperazin-1-yl)-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)butane-1,4-dione

L461-0395 Screening compound: 1-(4-phenylpiperazin-1-yl)-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)butane-1,4-dione
L461-0395 Screening compound: 1-(4-phenylpiperazin-1-yl)-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)butane-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L461-0395
1-(4-phenylpiperazin-1-yl)-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)butane-1,4-dione

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

L461-0395

Molecular Formula

C25H30N6O2S (C25 H30 N6 O2 S)

Compound Name

1-(4-phenylpiperazin-1-yl)-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)butane-1,4-dione

IUPAC name

1-(4-phenylpiperazin-1-yl)-4-(4-{[13]thiazolo[54-b]pyridin-2-yl}-14-diazepan-1-yl)butane-14-dione

SMILES

O=C(CCC(N(CCC1)CCN1c1nc2cccnc2s1)=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C25H30N6O2S/c32-22(9-10-23(33)30-16-14-28(15-17-30)20-6-2-1-3-7-20)29-12-5-13-31(19-18-29)25-27-21-8-4-11-26-24(21)34-25/h1-4,6-8,11H,5,9-10,12-19H2

InChI Key

FSLKIFMRXGEYTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27254158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.394

Distribution Coefficient, logD

2.391

Water Solubility, LogSw

-2.48

Polar Surface Area

58.545

Acid Dissociation Constant (pKa)

22.89

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

L461-0395 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L461-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L461-0395?
Check Price and Availability of L461-0395, 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 L461-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L461-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L461-0395
  • 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 L461-0395 available by request