E772-0218 Screening compound: N-[(2-methylphenyl)methyl]-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide

E772-0218 Screening compound: N-[(2-methylphenyl)methyl]-4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)benzamide
E772-0218 Screening compound: N-[(2-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 E772-0218
N-[(2-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

E772-0218

Molecular Formula

C23H21N3O2S (C23 H21 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CNC(c2ccc(CN3c4cccnc4SCC3=O)cc2)=O)cccc1

InChI

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

InChI Key

BXSCTINNSRZGQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601726

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

3.886

Distribution Coefficient, logD

3.886

Water Solubility, LogSw

-3.86

Polar Surface Area

51.085

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E772-0218 in Drug Discovery

Included in Screening Libraries

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E772-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E772-0218?
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What is the minimum amount of E772-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E772-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E772-0218
  • 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 E772-0218 available by request