3797-0340 Screening compound: (6Z)-5-imino-6-({1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3797-0340 Screening compound: (6Z)-5-imino-6-({1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3797-0340 Screening compound: (6Z)-5-imino-6-({1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3797-0340
(6Z)-5-imino-6-({1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-propyl-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

3797-0340

Molecular Formula

C26H25N5O2S (C26 H25 N5 O2 S)

Compound Name

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

IUPAC name

(6Z)-5-imino-6-({1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-propyl-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCCC(SC1=NC(/C2=C\c3cn(CCOc4ccc(C)cc4)c4c3cccc4)=O)=NN1C2=N

InChI

InChI=1S/C26H25N5O2S/c1-3-6-23-29-31-24(27)21(25(32)28-26(31)34-23)15-18-16-30(22-8-5-4-7-20(18)22)13-14-33-19-11-9-17(2)10-12-19/h4-5,7-12,15-16,27H,3,6,13-14H2,1-2H3

InChI Key

PDWBUVYZZWZJME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02955449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.993

Distribution Coefficient, logD

3.518

Water Solubility, LogSw

-4.51

Polar Surface Area

64.051

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 3797-0340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3797-0340?
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What is the minimum amount of 3797-0340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3797-0340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3797-0340
  • 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 3797-0340 available by request