D358-0013 Screening compound: N-cyclohexyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

D358-0013 Screening compound: N-cyclohexyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
D358-0013 Screening compound: N-cyclohexyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D358-0013
N-cyclohexyl-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

D358-0013

Molecular Formula

C13H15N3O2S (C13 H15 N3 O2 S)

Compound Name

N-cyclohexyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

IUPAC name

N-cyclohexyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidine-6-carboxamide

SMILES

O=C(C1=CN=C2SC=CN2C1=O)NC1CCCCC1

InChI

InChI=1S/C13H15N3O2S/c17-11(15-9-4-2-1-3-5-9)10-8-14-13-16(12(10)18)6-7-19-13/h6-9H,1-5H2,(H,15,17)

InChI Key

AITHHZVDQFVYKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05021136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.311

Distribution Coefficient, logD

1.311

Water Solubility, LogSw

-1.89

Polar Surface Area

49.581

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

D358-0013 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D358-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D358-0013?
Check Price and Availability of D358-0013, 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 D358-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D358-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D358-0013
  • 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 D358-0013 available by request