D358-0130 Screening compound: 1,3-dimethyl 5-{5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-amido}benzene-1,3-dicarboxylate

D358-0130 Screening compound: 1,3-dimethyl 5-{5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-amido}benzene-1,3-dicarboxylate
D358-0130 Screening compound: 1,3-dimethyl 5-{5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-amido}benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D358-0130
1,3-dimethyl 5-{5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-amido}benzene-1,3-dicarboxylate

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

D358-0130

Molecular Formula

C17H13N3O6S (C17 H13 N3 O6 S)

Compound Name

1,3-dimethyl 5-{5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-amido}benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-{5-oxo-5H-[13]thiazolo[32-a]pyrimidine-6-amido}benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(C2=CN=C3SC=CN3C2=O)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C17H13N3O6S/c1-25-15(23)9-5-10(16(24)26-2)7-11(6-9)19-13(21)12-8-18-17-20(14(12)22)3-4-27-17/h3-8H,1-2H3,(H,19,21)

InChI Key

VCEDNRUUPRFHBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09777279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.37

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.618

Distribution Coefficient, logD

0.215

Water Solubility, LogSw

-2.38

Polar Surface Area

90.881

Acid Dissociation Constant (pKa)

6.01

Base Dissociation Constant (pKb)

-3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D358-0130 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 D358-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D358-0130?
Check Price and Availability of D358-0130, 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 D358-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D358-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D358-0130
  • 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 D358-0130 available by request