3773-0960 Screening compound: (6Z)-5-imino-6-[(1H-indol-3-yl)methylidene]-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3773-0960 Screening compound: (6Z)-5-imino-6-[(1H-indol-3-yl)methylidene]-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3773-0960 Screening compound: (6Z)-5-imino-6-[(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 3773-0960
(6Z)-5-imino-6-[(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

3773-0960

Molecular Formula

C17H15N5OS (C17 H15 N5 OS)

Compound Name

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

SMILES

CCCC(SC1=NC(/C2=C\c3c[nH]c4c3cccc4)=O)=NN1C2=N

InChI

InChI=1S/C17H15N5OS/c1-2-5-14-21-22-15(18)12(16(23)20-17(22)24-14)8-10-9-19-13-7-4-3-6-11(10)13/h3-4,6-9,18-19H,2,5H2,1H3

InChI Key

ZKXJBIZGCZVYLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02636789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.922

Distribution Coefficient, logD

1.447

Water Solubility, LogSw

-3.24

Polar Surface Area

64.793

Acid Dissociation Constant (pKa)

18.14

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

3773-0960 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3773-0960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3773-0960?
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What is the minimum amount of 3773-0960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3773-0960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3773-0960
  • 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 3773-0960 available by request