E772-0183 Screening compound: N-[2-(2-methylpiperidin-1-yl)ethyl]-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide

E772-0183 Screening compound: N-[2-(2-methylpiperidin-1-yl)ethyl]-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide
E772-0183 Screening compound: N-[2-(2-methylpiperidin-1-yl)ethyl]-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E772-0183
N-[2-(2-methylpiperidin-1-yl)ethyl]-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide

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

E772-0183

Molecular Formula

C23H28N4O2S (C23 H28 N4 O2 S)

Compound Name

N-[2-(2-methylpiperidin-1-yl)ethyl]-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide

IUPAC name

N-[2-(2-methylpiperidin-1-yl)ethyl]-4-({2-oxo-1H2H3H-pyrido[23-b][14]thiazin-1-yl}methyl)benzamide

SMILES

CC1N(CCNC(c2ccc(CN3c4cccnc4SCC3=O)cc2)=O)CCCC1

InChI

InChI=1S/C23H28N4O2S/c1-17-5-2-3-13-26(17)14-12-24-22(29)19-9-7-18(8-10-19)15-27-20-6-4-11-25-23(20)30-16-21(27)28/h4,6-11,17H,2-3,5,12-16H2,1H3,(H,24,29)/t17-/m0/s1

InChI Key

WVNZSYRVVSVTNR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14917400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.235

Distribution Coefficient, logD

1.002

Water Solubility, LogSw

-2.57

Polar Surface Area

54.359

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

8.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

E772-0183 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E772-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E772-0183?
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What is the minimum amount of E772-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E772-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E772-0183
  • 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 E772-0183 available by request