C679-5077 Screening compound: 2-methyl-N-(4-{[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide

C679-5077 Screening compound: 2-methyl-N-(4-{[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide
C679-5077 Screening compound: 2-methyl-N-(4-{[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-5077
2-methyl-N-(4-{[5-oxo-2-(pentan-3-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

C679-5077

Molecular Formula

C25H26N4O3S (C25 H26 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(CC)C(SC1=NC(COc(cc2)ccc2NC(c2c(C)cccc2)=O)=C2)=NN1C2=O

InChI

InChI=1S/C25H26N4O3S/c1-4-17(5-2)24-28-29-22(30)14-19(27-25(29)33-24)15-32-20-12-10-18(11-13-20)26-23(31)21-9-7-6-8-16(21)3/h6-14,17H,4-5,15H2,1-3H3,(H,26,31)

InChI Key

YMWLDJSZJXFVMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.063

Distribution Coefficient, logD

5.060

Water Solubility, LogSw

-4.59

Polar Surface Area

68.861

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C679-5077 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS Targets (44014 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C679-5077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-5077?
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What is the minimum amount of C679-5077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-5077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-5077
  • 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 C679-5077 available by request