P055-2053 Screening compound: 1-{4-[4-(1-azepanylmethyl)-1,3-thiazol-2-yl]piperazino}-1-butanone

P055-2053 Screening compound: 1-{4-[4-(1-azepanylmethyl)-1,3-thiazol-2-yl]piperazino}-1-butanone
P055-2053 Screening compound: 1-{4-[4-(1-azepanylmethyl)-1,3-thiazol-2-yl]piperazino}-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P055-2053
1-{4-[4-(1-azepanylmethyl)-1,3-thiazol-2-yl]piperazino}-1-butanone

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

P055-2053

Molecular Formula

C18H30N4OS (C18 H30 N4 OS)

Compound Name

1-{4-[4-(1-azepanylmethyl)-1,3-thiazol-2-yl]piperazino}-1-butanone

IUPAC name

1-(4-{4-[(azepan-1-yl)methyl]-13-thiazol-2-yl}piperazin-1-yl)butan-1-one

SMILES

CCCC(N(CC1)CCN1c1nc(CN2CCCCCC2)cs1)=O

InChI

InChI=1S/C18H30N4OS/c1-2-7-17(23)21-10-12-22(13-11-21)18-19-16(15-24-18)14-20-8-5-3-4-6-9-20/h15H,2-14H2,1H3

InChI Key

YLIPWGSSHFFZKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29022044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.392

Distribution Coefficient, logD

0.995

Water Solubility, LogSw

-3.57

Polar Surface Area

34.271

Acid Dissociation Constant (pKa)

23.65

Base Dissociation Constant (pKb)

9.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

77.78

P055-2053 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P055-2053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P055-2053?
Check Price and Availability of P055-2053, 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 P055-2053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P055-2053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P055-2053
  • 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 P055-2053 available by request