3797-0357 Screening compound: (6Z)-5-imino-6-[(4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3797-0357 Screening compound: (6Z)-5-imino-6-[(4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3797-0357 Screening compound: (6Z)-5-imino-6-[(4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3797-0357
(6Z)-5-imino-6-[(4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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

3797-0357

Molecular Formula

C26H26N4O3S (C26 H26 N4 O3 S)

Compound Name

(6Z)-5-imino-6-[(4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-5-imino-6-[(4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-2-propyl-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCCC(SC1=NC(/C2=C\c(cc3)ccc3OCCOc3c(CC=C)cccc3)=O)=NN1C2=N

InChI

InChI=1S/C26H26N4O3S/c1-3-7-19-9-5-6-10-22(19)33-16-15-32-20-13-11-18(12-14-20)17-21-24(27)30-26(28-25(21)31)34-23(29-30)8-4-2/h3,5-6,9-14,17,27H,1,4,7-8,15-16H2,2H3

InChI Key

PBJQCMPHBHVQQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02118254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.269

Distribution Coefficient, logD

3.794

Water Solubility, LogSw

-5.23

Polar Surface Area

69.573

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 3797-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3797-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3797-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3797-0357
  • 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 3797-0357 available by request