C679-6596 Screening compound: 3,4-dimethoxy-N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide

C679-6596 Screening compound: 3,4-dimethoxy-N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide
C679-6596 Screening compound: 3,4-dimethoxy-N-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-6596
3,4-dimethoxy-N-[4-({5-oxo-2-propyl-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

C679-6596

Molecular Formula

C24H24N4O5S (C24 H24 N4 O5 S)

Compound Name

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

IUPAC name

34-dimethoxy-N-[4-({5-oxo-2-propyl-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]benzamide

SMILES

CCCC(SC1=NC(COc(cc2)ccc2NC(c(cc2)cc(OC)c2OC)=O)=C2)=NN1C2=O

InChI

InChI=1S/C24H24N4O5S/c1-4-5-21-27-28-22(29)13-17(26-24(28)34-21)14-33-18-9-7-16(8-10-18)25-23(30)15-6-11-19(31-2)20(12-15)32-3/h6-13H,4-5,14H2,1-3H3,(H,25,30)

InChI Key

VTAPAEOOTSFKAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.632

Distribution Coefficient, logD

3.628

Water Solubility, LogSw

-4.00

Polar Surface Area

84.025

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C679-6596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-6596?
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What is the minimum amount of C679-6596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-6596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-6596
  • 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 C679-6596 available by request