L461-0452 Screening compound: 1-[4-(2-pyrimidinyl)piperazino]-4-(4-[1,3]thiazolo[5,4-b]pyridin-2-yl-1,4-diazepan-1-yl)-1,4-butanedione

L461-0452 Screening compound: 1-[4-(2-pyrimidinyl)piperazino]-4-(4-[1,3]thiazolo[5,4-b]pyridin-2-yl-1,4-diazepan-1-yl)-1,4-butanedione
L461-0452 Screening compound: 1-[4-(2-pyrimidinyl)piperazino]-4-(4-[1,3]thiazolo[5,4-b]pyridin-2-yl-1,4-diazepan-1-yl)-1,4-butanedione alternative view

Chemical Structure Depiction of ChemDiv screening compound L461-0452
1-[4-(2-pyrimidinyl)piperazino]-4-(4-[1,3]thiazolo[5,4-b]pyridin-2-yl-1,4-diazepan-1-yl)-1,4-butanedione

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

L461-0452

Molecular Formula

C23H28N8O2S (C23 H28 N8 O2 S)

Compound Name

1-[4-(2-pyrimidinyl)piperazino]-4-(4-[1,3]thiazolo[5,4-b]pyridin-2-yl-1,4-diazepan-1-yl)-1,4-butanedione

IUPAC name

1-[4-(pyrimidin-2-yl)piperazin-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)CCN1c1ncccn1

InChI

InChI=1S/C23H28N8O2S/c32-19(5-6-20(33)29-12-15-30(16-13-29)22-25-8-2-9-26-22)28-10-3-11-31(17-14-28)23-27-18-4-1-7-24-21(18)34-23/h1-2,4,7-9H,3,5-6,10-17H2

InChI Key

KOKBUQYCGHTTGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27254197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.559

Distribution Coefficient, logD

1.555

Water Solubility, LogSw

-1.98

Polar Surface Area

76.907

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.83

L461-0452 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L461-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L461-0452?
Check Price and Availability of L461-0452, 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 L461-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L461-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L461-0452
  • 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 L461-0452 available by request