D358-2505 Screening compound: N-[(4-chlorophenyl)methyl]-3-(2,5-dimethoxyphenyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

D358-2505 Screening compound: N-[(4-chlorophenyl)methyl]-3-(2,5-dimethoxyphenyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
D358-2505 Screening compound: N-[(4-chlorophenyl)methyl]-3-(2,5-dimethoxyphenyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D358-2505
N-[(4-chlorophenyl)methyl]-3-(2,5-dimethoxyphenyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

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

D358-2505

Molecular Formula

C22H18ClN3O4S (C22 H18 ClN3 O4 S)

Compound Name

N-[(4-chlorophenyl)methyl]-3-(2,5-dimethoxyphenyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

IUPAC name

N-[(4-chlorophenyl)methyl]-3-(25-dimethoxyphenyl)-5-oxo-5H-[13]thiazolo[32-a]pyrimidine-6-carboxamide

SMILES

COc(cc1)cc(C(N23)=CSC3=NC=C(C(NCc(cc3)ccc3Cl)=O)C2=O)c1OC

InChI

InChI=1S/C22H18ClN3O4S/c1-29-15-7-8-19(30-2)16(9-15)18-12-31-22-25-11-17(21(28)26(18)22)20(27)24-10-13-3-5-14(23)6-4-13/h3-9,11-12H,10H2,1-2H3,(H,24,27)

InChI Key

OTKNOHZODLQFKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27581598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.202

Distribution Coefficient, logD

2.853

Water Solubility, LogSw

-3.66

Polar Surface Area

64.832

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D358-2505 in Drug Discovery

Included in Screening Libraries

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

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 D358-2505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D358-2505?
Check Price and Availability of D358-2505, 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 D358-2505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D358-2505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D358-2505
  • 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 D358-2505 available by request