3797-0695 Screening compound: (6Z)-6-({4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl}methylidene)-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3797-0695 Screening compound: (6Z)-6-({4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl}methylidene)-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3797-0695 Screening compound: (6Z)-6-({4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl}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 3797-0695
(6Z)-6-({4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl}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

3797-0695

Molecular Formula

C28H32N4O4S (C28 H32 N4 O4 S)

Compound Name

(6Z)-6-({4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl}methylidene)-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-6-({4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl}methylidene)-5-imino-2-(propan-2-yl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CC(C)C(SC1=NC(/C2=C\c(cc3)cc(OC)c3OCCOc3ccc(C(C)(C)C)cc3)=O)=NN1C2=N

InChI

InChI=1S/C28H32N4O4S/c1-17(2)26-31-32-24(29)21(25(33)30-27(32)37-26)15-18-7-12-22(23(16-18)34-6)36-14-13-35-20-10-8-19(9-11-20)28(3,4)5/h7-12,15-17,29H,13-14H2,1-6H3

InChI Key

GDDWLIQNPSYRPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02988026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.65

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

5.691

Distribution Coefficient, logD

3.923

Water Solubility, LogSw

-5.51

Polar Surface Area

77.300

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

3797-0695 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3797-0695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3797-0695?
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What is the minimum amount of 3797-0695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3797-0695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3797-0695
  • 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 3797-0695 available by request