3797-0679 Screening compound: (6Z)-6-[(3-ethoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3797-0679 Screening compound: (6Z)-6-[(3-ethoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3797-0679 Screening compound: (6Z)-6-[(3-ethoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3797-0679
(6Z)-6-[(3-ethoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-2-(propan-2-yl)-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

3797-0679

Molecular Formula

C28H30N4O4S (C28 H30 N4 O4 S)

Compound Name

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

IUPAC name

(6Z)-6-[(3-ethoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-5-imino-2-(propan-2-yl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCOc(cc(/C=C(/C(N1N=C(C(C)C)SC1=N1)=N)\C1=O)cc1)c1OCCOc1c(CC=C)cccc1

InChI

InChI=1S/C28H30N4O4S/c1-5-9-20-10-7-8-11-22(20)35-14-15-36-23-13-12-19(17-24(23)34-6-2)16-21-25(29)32-28(30-26(21)33)37-27(31-32)18(3)4/h5,7-8,10-13,16-18,29H,1,6,9,14-15H2,2-4H3

InChI Key

QZYHVDKVDLXQSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02118576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.993

Distribution Coefficient, logD

3.225

Water Solubility, LogSw

-4.58

Polar Surface Area

76.966

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 3797-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3797-0679?
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What is the minimum amount of 3797-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3797-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3797-0679
  • 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 3797-0679 available by request