P055-0910 Screening compound: 4-(4-{4-[(morpholin-4-yl)methyl]-1,3-thiazol-2-yl}piperazine-1-carbonyl)benzonitrile

P055-0910 Screening compound: 4-(4-{4-[(morpholin-4-yl)methyl]-1,3-thiazol-2-yl}piperazine-1-carbonyl)benzonitrile
P055-0910 Screening compound: 4-(4-{4-[(morpholin-4-yl)methyl]-1,3-thiazol-2-yl}piperazine-1-carbonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound P055-0910
4-(4-{4-[(morpholin-4-yl)methyl]-1,3-thiazol-2-yl}piperazine-1-carbonyl)benzonitrile

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

P055-0910

Molecular Formula

C20H23N5O2S (C20 H23 N5 O2 S)

Compound Name

4-(4-{4-[(morpholin-4-yl)methyl]-1,3-thiazol-2-yl}piperazine-1-carbonyl)benzonitrile

IUPAC name

4-(4-{4-[(morpholin-4-yl)methyl]-13-thiazol-2-yl}piperazine-1-carbonyl)benzonitrile

SMILES

N#Cc(cc1)ccc1C(N(CC1)CCN1c1nc(CN2CCOCC2)cs1)=O

InChI

InChI=1S/C20H23N5O2S/c21-13-16-1-3-17(4-2-16)19(26)24-5-7-25(8-6-24)20-22-18(15-28-20)14-23-9-11-27-12-10-23/h1-4,15H,5-12,14H2

InChI Key

QEGSFUMHLSITEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.732

Distribution Coefficient, logD

1.438

Water Solubility, LogSw

-2.21

Polar Surface Area

59.160

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

P055-0910 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P055-0910 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P055-0910?
Check Price and Availability of P055-0910, 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 P055-0910 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P055-0910
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P055-0910
  • 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 P055-0910 available by request