C679-4051 Screening compound: N-[3-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-3-phenylpropanamide

C679-4051 Screening compound: N-[3-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-3-phenylpropanamide
C679-4051 Screening compound: N-[3-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-4051
N-[3-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-3-phenylpropanamide

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

C679-4051

Molecular Formula

C22H20N4O3S (C22 H20 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(SC1=NC(COc2cc(NC(CCc3ccccc3)=O)ccc2)=C2)=NN1C2=O

InChI

InChI=1S/C22H20N4O3S/c1-15-25-26-21(28)13-18(24-22(26)30-15)14-29-19-9-5-8-17(12-19)23-20(27)11-10-16-6-3-2-4-7-16/h2-9,12-13H,10-11,14H2,1H3,(H,23,27)

InChI Key

VEIKZNVLWAPMHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

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

3.560

Distribution Coefficient, logD

3.555

Water Solubility, LogSw

-3.90

Polar Surface Area

67.821

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C679-4051 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C679-4051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-4051?
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What is the minimum amount of C679-4051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-4051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-4051
  • 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 C679-4051 available by request