D358-0357 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

D358-0357 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
D358-0357 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D358-0357
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethyl-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

D358-0357

Molecular Formula

C17H15N3O4S (C17 H15 N3 O4 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-23-dimethyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidine-6-carboxamide

SMILES

CC(N12)=C(C)SC2=NC=C(C(Nc(cc2)cc3c2OCCO3)=O)C1=O

InChI

InChI=1S/C17H15N3O4S/c1-9-10(2)25-17-18-8-12(16(22)20(9)17)15(21)19-11-3-4-13-14(7-11)24-6-5-23-13/h3-4,7-8H,5-6H2,1-2H3,(H,19,21)

InChI Key

PXUIMRNRHDTRKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27581436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.915

Distribution Coefficient, logD

0.032

Water Solubility, LogSw

-2.36

Polar Surface Area

64.436

Acid Dissociation Constant (pKa)

6.58

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D358-0357 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D358-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D358-0357?
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What is the minimum amount of D358-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D358-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D358-0357
  • 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 D358-0357 available by request