4277-1529 Screening compound: (6Z)-2-cyclohexyl-6-({3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}methylidene)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

4277-1529 Screening compound: (6Z)-2-cyclohexyl-6-({3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}methylidene)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
4277-1529 Screening compound: (6Z)-2-cyclohexyl-6-({3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}methylidene)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4277-1529
(6Z)-2-cyclohexyl-6-({3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}methylidene)-5-imino-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

4277-1529

Molecular Formula

C29H32N4O5S (C29 H32 N4 O5 S)

Compound Name

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

IUPAC name

(6Z)-2-cyclohexyl-6-({3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}methylidene)-5-imino-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCOc(cc(/C=C(/C(N1N=C(C2CCCCC2)SC1=N1)=N)\C1=O)cc1)c1OCCOc(cc1)ccc1OC

InChI

InChI=1S/C29H32N4O5S/c1-3-36-25-18-19(9-14-24(25)38-16-15-37-22-12-10-21(35-2)11-13-22)17-23-26(30)33-29(31-27(23)34)39-28(32-33)20-7-5-4-6-8-20/h9-14,17-18,20,30H,3-8,15-16H2,1-2H3

InChI Key

RJNUQQNQJVQRNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.016

Distribution Coefficient, logD

3.247

Water Solubility, LogSw

-4.57

Polar Surface Area

84.344

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

References: we are preparing a list of scientific research reports with 4277-1529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4277-1529?
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What is the minimum amount of 4277-1529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4277-1529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4277-1529
  • 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 4277-1529 available by request