7629-1308 Screening compound: 2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-N-[(5-methylthiophen-2-yl)methyl]aniline

7629-1308 Screening compound: 2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-N-[(5-methylthiophen-2-yl)methyl]aniline
7629-1308 Screening compound: 2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-N-[(5-methylthiophen-2-yl)methyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 7629-1308
2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-N-[(5-methylthiophen-2-yl)methyl]aniline

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

7629-1308

Molecular Formula

C17H17N5S2 (C17 H17 N5 S2)

Compound Name

2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-N-[(5-methylthiophen-2-yl)methyl]aniline

IUPAC name

2-methyl-5-{3-methyl-[124]triazolo[34-b][134]thiadiazol-6-yl}-N-[(5-methylthiophen-2-yl)methyl]aniline

SMILES

Cc1ccc(CNc2c(C)ccc(-c(s3)nn4c3nnc4C)c2)s1

InChI

InChI=1S/C17H17N5S2/c1-10-4-6-13(16-21-22-12(3)19-20-17(22)24-16)8-15(10)18-9-14-7-5-11(2)23-14/h4-8,18H,9H2,1-3H3

InChI Key

OABARYJAOYDNOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.808

Distribution Coefficient, logD

3.808

Water Solubility, LogSw

-3.96

Polar Surface Area

45.325

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

7629-1308 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7629-1308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7629-1308?
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What is the minimum amount of 7629-1308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7629-1308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7629-1308
  • 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 7629-1308 available by request