C679-4214 Screening compound: 4-tert-butyl-N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide

C679-4214 Screening compound: 4-tert-butyl-N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide
C679-4214 Screening compound: 4-tert-butyl-N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-4214
4-tert-butyl-N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[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

C679-4214

Molecular Formula

C26H28N4O3S (C26 H28 N4 O3 S)

Compound Name

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

IUPAC name

4-tert-butyl-N-(3-{[5-oxo-2-(propan-2-yl)-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl]methoxy}phenyl)benzamide

SMILES

CC(C)C(SC1=NC(COc2cc(NC(c3ccc(C(C)(C)C)cc3)=O)ccc2)=C2)=NN1C2=O

InChI

InChI=1S/C26H28N4O3S/c1-16(2)24-29-30-22(31)14-20(28-25(30)34-24)15-33-21-8-6-7-19(13-21)27-23(32)17-9-11-18(12-10-17)26(3,4)5/h6-14,16H,15H2,1-5H3,(H,27,32)

InChI Key

FAVRSNZUTCANQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.804

Distribution Coefficient, logD

5.796

Water Solubility, LogSw

-5.48

Polar Surface Area

68.861

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C679-4214 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 C679-4214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-4214?
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What is the minimum amount of C679-4214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-4214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-4214
  • 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 C679-4214 available by request