D358-0279 Screening compound: 3-methyl-6-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carbonyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

D358-0279 Screening compound: 3-methyl-6-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carbonyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
D358-0279 Screening compound: 3-methyl-6-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carbonyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D358-0279
3-methyl-6-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carbonyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

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

D358-0279

Molecular Formula

C21H22N4O2S (C21 H22 N4 O2 S)

Compound Name

3-methyl-6-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carbonyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

IUPAC name

3-methyl-6-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1-carbonyl}-5H-[13]thiazolo[32-a]pyrimidin-5-one

SMILES

CC(N12)=CSC2=NC=C(C(N2CCN(C/C=C/c3ccccc3)CC2)=O)C1=O

InChI

InChI=1S/C21H22N4O2S/c1-16-15-28-21-22-14-18(20(27)25(16)21)19(26)24-12-10-23(11-13-24)9-5-8-17-6-3-2-4-7-17/h2-8,14-15H,9-13H2,1H3

InChI Key

MNRVKXZLARPEJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09777321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.024

Distribution Coefficient, logD

2.022

Water Solubility, LogSw

-2.14

Polar Surface Area

45.274

Acid Dissociation Constant (pKa)

28.73

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D358-0279 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D358-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D358-0279?
Check Price and Availability of D358-0279, 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 D358-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D358-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D358-0279
  • 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 D358-0279 available by request