8008-8659 Screening compound: N-{5-[(1H-indol-3-yl)methyl]-1,3,4-thiadiazol-2-yl}-4-methoxybenzamide

8008-8659 Screening compound: N-{5-[(1H-indol-3-yl)methyl]-1,3,4-thiadiazol-2-yl}-4-methoxybenzamide
8008-8659 Screening compound: N-{5-[(1H-indol-3-yl)methyl]-1,3,4-thiadiazol-2-yl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8659
N-{5-[(1H-indol-3-yl)methyl]-1,3,4-thiadiazol-2-yl}-4-methoxybenzamide

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

8008-8659

Molecular Formula

C19H16N4O2S (C19 H16 N4 O2 S)

Compound Name

N-{5-[(1H-indol-3-yl)methyl]-1,3,4-thiadiazol-2-yl}-4-methoxybenzamide

IUPAC name

N-{5-[(1H-indol-3-yl)methyl]-134-thiadiazol-2-yl}-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(Nc1nnc(Cc2c[nH]c3c2cccc3)s1)=O

InChI

InChI=1S/C19H16N4O2S/c1-25-14-8-6-12(7-9-14)18(24)21-19-23-22-17(26-19)10-13-11-20-16-5-3-2-4-15(13)16/h2-9,11,20H,10H2,1H3,(H,21,23,24)

InChI Key

AXHAJBIEOINPDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01430045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.925

Distribution Coefficient, logD

3.747

Water Solubility, LogSw

-4.18

Polar Surface Area

64.513

Acid Dissociation Constant (pKa)

7.70

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

8008-8659 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 8008-8659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8659?
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What is the minimum amount of 8008-8659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8659
  • 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 8008-8659 available by request