3537-5313 Screening compound: (6Z)-2-ethyl-5-imino-6-({1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3537-5313 Screening compound: (6Z)-2-ethyl-5-imino-6-({1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3537-5313 Screening compound: (6Z)-2-ethyl-5-imino-6-({1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3537-5313
(6Z)-2-ethyl-5-imino-6-({1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-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

3537-5313

Molecular Formula

C25H23N5O2S (C25 H23 N5 O2 S)

Compound Name

(6Z)-2-ethyl-5-imino-6-({1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-2-ethyl-5-imino-6-({1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCC(SC1=NC(/C2=C\c3cn(CCOc4cc(C)ccc4)c4c3cccc4)=O)=NN1C2=N

InChI

InChI=1S/C25H23N5O2S/c1-3-22-28-30-23(26)20(24(31)27-25(30)33-22)14-17-15-29(21-10-5-4-9-19(17)21)11-12-32-18-8-6-7-16(2)13-18/h4-10,13-15,26H,3,11-12H2,1-2H3

InChI Key

SVYRWENIDVOISN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02643049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.524

Distribution Coefficient, logD

3.049

Water Solubility, LogSw

-4.14

Polar Surface Area

64.051

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3537-5313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3537-5313?
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What is the minimum amount of 3537-5313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3537-5313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3537-5313
  • 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 3537-5313 available by request