3537-5136 Screening compound: (6Z)-6-({3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}methylidene)-2-ethyl-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3537-5136 Screening compound: (6Z)-6-({3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}methylidene)-2-ethyl-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3537-5136 Screening compound: (6Z)-6-({3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}methylidene)-2-ethyl-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3537-5136
(6Z)-6-({3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}methylidene)-2-ethyl-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

3537-5136

Molecular Formula

C26H27BrN4O4S (C26 H27 BrN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(SC1=NC(/C2=C\c(cc3OCC)cc(Br)c3OCCOc3cc(C)c(C)cc3)=O)=NN1C2=N

InChI

InChI=1S/C26H27BrN4O4S/c1-5-22-30-31-24(28)19(25(32)29-26(31)36-22)12-17-13-20(27)23(21(14-17)33-6-2)35-10-9-34-18-8-7-15(3)16(4)11-18/h7-8,11-14,28H,5-6,9-10H2,1-4H3

InChI Key

RMYKYDPDDJLFPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

571.49

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

5.553

Distribution Coefficient, logD

4.078

Water Solubility, LogSw

-5.36

Polar Surface Area

76.870

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 3537-5136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3537-5136?
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What is the minimum amount of 3537-5136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3537-5136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3537-5136
  • 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 3537-5136 available by request