P113-1020 Screening compound: 8-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

P113-1020 Screening compound: 8-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
P113-1020 Screening compound: 8-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound P113-1020
8-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

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

P113-1020

Molecular Formula

C22H28N4O4S (C22 H28 N4 O4 S)

Compound Name

8-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-13-thiazole-4-carbonyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

COc1cccc(N(CC2)CCN2c2nc(C(N(CC3)CCC33OCCO3)=O)cs2)c1

InChI

InChI=1S/C22H28N4O4S/c1-28-18-4-2-3-17(15-18)24-9-11-26(12-10-24)21-23-19(16-31-21)20(27)25-7-5-22(6-8-25)29-13-14-30-22/h2-4,15-16H,5-14H2,1H3

InChI Key

XYKBVRCUFZPKLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27565207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.893

Distribution Coefficient, logD

2.893

Water Solubility, LogSw

-3.31

Polar Surface Area

55.401

Acid Dissociation Constant (pKa)

23.18

Base Dissociation Constant (pKb)

6.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

P113-1020 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P113-1020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P113-1020?
Check Price and Availability of P113-1020, 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 P113-1020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P113-1020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P113-1020
  • 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 P113-1020 available by request