4277-1046 Screening compound: (6Z)-6-({4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}methylidene)-5-imino-2-(2-methylpropyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

4277-1046 Screening compound: (6Z)-6-({4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}methylidene)-5-imino-2-(2-methylpropyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
4277-1046 Screening compound: (6Z)-6-({4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}methylidene)-5-imino-2-(2-methylpropyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4277-1046
(6Z)-6-({4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}methylidene)-5-imino-2-(2-methylpropyl)-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

4277-1046

Molecular Formula

C28H32N4O4S (C28 H32 N4 O4 S)

Compound Name

(6Z)-6-({4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}methylidene)-5-imino-2-(2-methylpropyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-6-({4-[2-(34-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}methylidene)-5-imino-2-(2-methylpropyl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCOc(cc(/C=C(/C(N1N=C(CC(C)C)SC1=N1)=N)\C1=O)cc1)c1OCCOc1cc(C)c(C)cc1

InChI

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

InChI Key

VYCOWWDGEBWXFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709766

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

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.470

Distribution Coefficient, logD

3.995

Water Solubility, LogSw

-5.42

Polar Surface Area

76.783

Acid Dissociation Constant (pKa)

24.30

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

4277-1046 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 4277-1046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4277-1046?
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What is the minimum amount of 4277-1046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4277-1046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4277-1046
  • 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 4277-1046 available by request