C679-4372 Screening compound: N-[3-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-2-fluorobenzamide

C679-4372 Screening compound: N-[3-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-2-fluorobenzamide
C679-4372 Screening compound: N-[3-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-4372
N-[3-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-2-fluorobenzamide

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

C679-4372

Molecular Formula

C21H17FN4O3S (C21 H17 FN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(SC1=NC(COc2cc(NC(c(cccc3)c3F)=O)ccc2)=C2)=NN1C2=O

InChI

InChI=1S/C21H17FN4O3S/c1-2-18-25-26-19(27)11-14(24-21(26)30-18)12-29-15-7-5-6-13(10-15)23-20(28)16-8-3-4-9-17(16)22/h3-11H,2,12H2,1H3,(H,23,28)

InChI Key

YKAZJBBHMGWYOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.539

Distribution Coefficient, logD

3.529

Water Solubility, LogSw

-3.84

Polar Surface Area

68.765

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with C679-4372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-4372?
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What is the minimum amount of C679-4372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-4372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-4372
  • 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 C679-4372 available by request