M008-0118 Screening compound: N-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-bromopyridin-2-amine

M008-0118 Screening compound: N-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-bromopyridin-2-amine
M008-0118 Screening compound: N-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-bromopyridin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound M008-0118
N-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-bromopyridin-2-amine

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

M008-0118

Molecular Formula

C15H10BrN3O2S (C15 H10 BrN3 O2 S)

Compound Name

N-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-bromopyridin-2-amine

IUPAC name

N-[4-(2H-13-benzodioxol-5-yl)-13-thiazol-2-yl]-5-bromopyridin-2-amine

SMILES

Brc(cc1)cnc1Nc1nc(-c(cc2)cc3c2OCO3)cs1

InChI

InChI=1S/C15H10BrN3O2S/c16-10-2-4-14(17-6-10)19-15-18-11(7-22-15)9-1-3-12-13(5-9)21-8-20-12/h1-7H,8H2,(H,17,18,19)

InChI Key

CEJGWKYUOBKACK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.540

Distribution Coefficient, logD

5.538

Water Solubility, LogSw

-5.90

Polar Surface Area

45.746

Acid Dissociation Constant (pKa)

16.96

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

M008-0118 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Proteases
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M008-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M008-0118?
Check Price and Availability of M008-0118, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M008-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M008-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M008-0118
  • 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 M008-0118 available by request