3797-0175 Screening compound: (6Z)-6-[(1-benzyl-1H-indol-3-yl)methylidene]-5-imino-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3797-0175 Screening compound: (6Z)-6-[(1-benzyl-1H-indol-3-yl)methylidene]-5-imino-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3797-0175 Screening compound: (6Z)-6-[(1-benzyl-1H-indol-3-yl)methylidene]-5-imino-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3797-0175
(6Z)-6-[(1-benzyl-1H-indol-3-yl)methylidene]-5-imino-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

3797-0175

Molecular Formula

C24H21N5OS (C24 H21 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCCC(SC1=NC(/C2=C\c3cn(Cc4ccccc4)c4c3cccc4)=O)=NN1C2=N

InChI

InChI=1S/C24H21N5OS/c1-2-8-21-27-29-22(25)19(23(30)26-24(29)31-21)13-17-15-28(14-16-9-4-3-5-10-16)20-12-7-6-11-18(17)20/h3-7,9-13,15,25H,2,8,14H2,1H3

InChI Key

WANPEWZRJXNQHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02118072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.363

Distribution Coefficient, logD

2.888

Water Solubility, LogSw

-4.15

Polar Surface Area

56.655

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 3797-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3797-0175?
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What is the minimum amount of 3797-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3797-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3797-0175
  • 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 3797-0175 available by request