D358-0643 Screening compound: ethyl 4-{5-oxo-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-amido}benzoate

D358-0643 Screening compound: ethyl 4-{5-oxo-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-amido}benzoate
D358-0643 Screening compound: ethyl 4-{5-oxo-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D358-0643
ethyl 4-{5-oxo-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-amido}benzoate

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

D358-0643

Molecular Formula

C22H17N3O4S (C22 H17 N3 O4 S)

Compound Name

ethyl 4-{5-oxo-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-amido}benzoate

IUPAC name

ethyl 4-{5-oxo-3-phenyl-5H-[13]thiazolo[32-a]pyrimidine-6-amido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(C1=CN=C2SC=C(c3ccccc3)N2C1=O)=O)=O

InChI

InChI=1S/C22H17N3O4S/c1-2-29-21(28)15-8-10-16(11-9-15)24-19(26)17-12-23-22-25(20(17)27)18(13-30-22)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,24,26)

InChI Key

MDSFMBYGJLIUOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05021366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.632

Distribution Coefficient, logD

1.778

Water Solubility, LogSw

-3.85

Polar Surface Area

69.089

Acid Dissociation Constant (pKa)

5.55

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D358-0643 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 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 D358-0643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D358-0643?
Check Price and Availability of D358-0643, 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 D358-0643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D358-0643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D358-0643
  • 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 D358-0643 available by request