C679-5517 Screening compound: 4-tert-butyl-N-[2-({2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide

C679-5517 Screening compound: 4-tert-butyl-N-[2-({2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide
C679-5517 Screening compound: 4-tert-butyl-N-[2-({2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-5517
4-tert-butyl-N-[2-({2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide

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

C679-5517

Molecular Formula

C25H25N3O3S (C25 H25 N3 O3 S)

Compound Name

4-tert-butyl-N-[2-({2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide

IUPAC name

4-tert-butyl-N-[2-({2-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc(cccc1)c1OCC(N=C1SC(C)=CN11)=CC1=O)=O

InChI

InChI=1S/C25H25N3O3S/c1-16-14-28-22(29)13-19(26-24(28)32-16)15-31-21-8-6-5-7-20(21)27-23(30)17-9-11-18(12-10-17)25(2,3)4/h5-14H,15H2,1-4H3,(H,27,30)

InChI Key

RZPHIRZGYVNPAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.902

Distribution Coefficient, logD

4.899

Water Solubility, LogSw

-4.67

Polar Surface Area

56.420

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C679-5517 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C679-5517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-5517?
Check Price and Availability of C679-5517, 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 C679-5517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-5517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-5517
  • 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 C679-5517 available by request