C679-0159 Screening compound: (4E)-4-{[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-1-phenylpyrazolidine-3,5-dione

C679-0159 Screening compound: (4E)-4-{[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-1-phenylpyrazolidine-3,5-dione
C679-0159 Screening compound: (4E)-4-{[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-1-phenylpyrazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-0159
(4E)-4-{[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-1-phenylpyrazolidine-3,5-dione

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

C679-0159

Molecular Formula

C25H21N5O4S (C25 H21 N5 O4 S)

Compound Name

(4E)-4-{[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-1-phenylpyrazolidine-3,5-dione

IUPAC name

(4E)-4-{[4-({5-oxo-2-propyl-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-1-phenylpyrazolidine-35-dione

SMILES

CCCC(SC1=NC(COc2ccc(/C=C(\C(NN3c4ccccc4)=O)/C3=O)cc2)=C2)=NN1C2=O

InChI

InChI=1S/C25H21N5O4S/c1-2-6-21-27-30-22(31)14-17(26-25(30)35-21)15-34-19-11-9-16(10-12-19)13-20-23(32)28-29(24(20)33)18-7-4-3-5-8-18/h3-5,7-14H,2,6,15H2,1H3,(H,28,32)

InChI Key

LOLDKOWNBDOOJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.326

Distribution Coefficient, logD

3.259

Water Solubility, LogSw

-3.60

Polar Surface Area

88.195

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with C679-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-0159?
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What is the minimum amount of C679-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-0159
  • 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 C679-0159 available by request