E772-0063 Screening compound: N-[(4-methylphenyl)methyl]-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide

E772-0063 Screening compound: N-[(4-methylphenyl)methyl]-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide
E772-0063 Screening compound: N-[(4-methylphenyl)methyl]-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 E772-0063
N-[(4-methylphenyl)methyl]-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

E772-0063

Molecular Formula

C23H21N3O2S (C23 H21 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(c2ccc(CN3c4cccnc4SCC3=O)cc2)=O)cc1

InChI

InChI=1S/C23H21N3O2S/c1-16-4-6-17(7-5-16)13-25-22(28)19-10-8-18(9-11-19)14-26-20-3-2-12-24-23(20)29-15-21(26)27/h2-12H,13-15H2,1H3,(H,25,28)

InChI Key

SHCXQLYPPXBNCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.421

Distribution Coefficient, logD

3.421

Water Solubility, LogSw

-3.66

Polar Surface Area

51.085

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with E772-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E772-0063?
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What is the minimum amount of E772-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E772-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E772-0063
  • 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 E772-0063 available by request