C679-4026 Screening compound: 2-(4-chlorophenoxy)-N-[3-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]acetamide

C679-4026 Screening compound: 2-(4-chlorophenoxy)-N-[3-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]acetamide
C679-4026 Screening compound: 2-(4-chlorophenoxy)-N-[3-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-4026
2-(4-chlorophenoxy)-N-[3-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]acetamide

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

C679-4026

Molecular Formula

C21H17ClN4O4S (C21 H17 ClN4 O4 S)

Compound Name

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

IUPAC name

2-(4-chlorophenoxy)-N-[3-({2-methyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]acetamide

SMILES

CC(SC1=NC(COc2cccc(NC(COc(cc3)ccc3Cl)=O)c2)=C2)=NN1C2=O

InChI

InChI=1S/C21H17ClN4O4S/c1-13-25-26-20(28)10-16(24-21(26)31-13)11-29-18-4-2-3-15(9-18)23-19(27)12-30-17-7-5-14(22)6-8-17/h2-10H,11-12H2,1H3,(H,23,27)

InChI Key

ZXBCUYMCUMBWCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.91

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.813

Distribution Coefficient, logD

3.808

Water Solubility, LogSw

-4.32

Polar Surface Area

75.320

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C679-4026 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C679-4026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-4026?
Check Price and Availability of C679-4026, 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 C679-4026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-4026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-4026
  • 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 C679-4026 available by request