C679-4382 Screening compound: 2-(4-chlorophenoxy)-N-[3-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]acetamide

C679-4382 Screening compound: 2-(4-chlorophenoxy)-N-[3-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]acetamide
C679-4382 Screening compound: 2-(4-chlorophenoxy)-N-[3-({2-ethyl-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 C679-4382
2-(4-chlorophenoxy)-N-[3-({2-ethyl-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

C679-4382

Molecular Formula

C22H19ClN4O4S (C22 H19 ClN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H19ClN4O4S/c1-2-20-26-27-21(29)11-16(25-22(27)32-20)12-30-18-5-3-4-15(10-18)24-19(28)13-31-17-8-6-14(23)7-9-17/h3-11H,2,12-13H2,1H3,(H,24,28)

InChI Key

XDVGXMDTPJLJBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.94

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

4.185

Distribution Coefficient, logD

4.178

Water Solubility, LogSw

-4.44

Polar Surface Area

76.050

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with C679-4382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-4382?
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What is the minimum amount of C679-4382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-4382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-4382
  • 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 C679-4382 available by request