C679-5836 Screening compound: N-[3-({2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-2-phenoxyacetamide

C679-5836 Screening compound: N-[3-({2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-2-phenoxyacetamide
C679-5836 Screening compound: N-[3-({2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-5836
N-[3-({2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-2-phenoxyacetamide

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

C679-5836

Molecular Formula

C26H26N4O4S (C26 H26 N4 O4 S)

Compound Name

N-[3-({2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-2-phenoxyacetamide

IUPAC name

N-[3-({2-cyclohexyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]-2-phenoxyacetamide

SMILES

O=C(COc1ccccc1)Nc1cccc(OCC(N=C2SC(C3CCCCC3)=NN22)=CC2=O)c1

InChI

InChI=1S/C26H26N4O4S/c31-23(17-34-21-11-5-2-6-12-21)27-19-10-7-13-22(14-19)33-16-20-15-24(32)30-26(28-20)35-25(29-30)18-8-3-1-4-9-18/h2,5-7,10-15,18H,1,3-4,8-9,16-17H2,(H,27,31)

InChI Key

ZWMYIXYGUSKMSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.007

Distribution Coefficient, logD

5.007

Water Solubility, LogSw

-4.79

Polar Surface Area

76.067

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C679-5836 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C679-5836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-5836?
Check Price and Availability of C679-5836, 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 C679-5836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-5836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-5836
  • 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 C679-5836 available by request