C679-4211 Screening compound: N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)-2-phenoxypropanamide

C679-4211 Screening compound: N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)-2-phenoxypropanamide
C679-4211 Screening compound: N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)-2-phenoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-4211
N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)-2-phenoxypropanamide

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

C679-4211

Molecular Formula

C24H24N4O4S (C24 H24 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(SC1=NC(COc2cc(NC(C(C)Oc3ccccc3)=O)ccc2)=C2)=NN1C2=O

InChI

InChI=1S/C24H24N4O4S/c1-15(2)23-27-28-21(29)13-18(26-24(28)33-23)14-31-20-11-7-8-17(12-20)25-22(30)16(3)32-19-9-5-4-6-10-19/h4-13,15-16H,14H2,1-3H3,(H,25,30)/t16-/m0/s1

InChI Key

SZSJRWSRKZSTPK-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14781710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.55

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

4.200

Distribution Coefficient, logD

4.192

Water Solubility, LogSw

-4.27

Polar Surface Area

75.650

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C679-4211 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C679-4211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-4211?
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What is the minimum amount of C679-4211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-4211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-4211
  • 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 C679-4211 available by request