4277-0363 Screening compound: (6Z)-6-({4-[2-(2,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}methylidene)-5-imino-2-methyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

4277-0363 Screening compound: (6Z)-6-({4-[2-(2,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}methylidene)-5-imino-2-methyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
4277-0363 Screening compound: (6Z)-6-({4-[2-(2,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}methylidene)-5-imino-2-methyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4277-0363
(6Z)-6-({4-[2-(2,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}methylidene)-5-imino-2-methyl-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

4277-0363

Molecular Formula

C24H24N4O4S (C24 H24 N4 O4 S)

Compound Name

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

IUPAC name

(6Z)-6-({4-[2-(25-dimethylphenoxy)ethoxy]-3-methoxyphenyl}methylidene)-5-imino-2-methyl-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CC(SC1=NC(/C2=C\c(cc3)cc(OC)c3OCCOc3c(C)ccc(C)c3)=O)=NN1C2=N

InChI

InChI=1S/C24H24N4O4S/c1-14-5-6-15(2)20(11-14)32-10-9-31-19-8-7-17(13-21(19)30-4)12-18-22(25)28-24(26-23(18)29)33-16(3)27-28/h5-8,11-13,25H,9-10H2,1-4H3

InChI Key

DPAHXSLWGYACNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09960018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.930

Distribution Coefficient, logD

2.741

Water Solubility, LogSw

-4.04

Polar Surface Area

76.560

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

8.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4277-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4277-0363?
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What is the minimum amount of 4277-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4277-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4277-0363
  • 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 4277-0363 available by request