E772-0118 Screening compound: 4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)-N-[(thiophen-2-yl)methyl]benzamide

E772-0118 Screening compound: 4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)-N-[(thiophen-2-yl)methyl]benzamide
E772-0118 Screening compound: 4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)-N-[(thiophen-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E772-0118
4-({2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}methyl)-N-[(thiophen-2-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

E772-0118

Molecular Formula

C20H17N3O2S2 (C20 H17 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CN2c3cccnc3SCC2=O)cc1)NCc1cccs1

InChI

InChI=1S/C20H17N3O2S2/c24-18-13-27-20-17(4-1-9-21-20)23(18)12-14-5-7-15(8-6-14)19(25)22-11-16-3-2-10-26-16/h1-10H,11-13H2,(H,22,25)

InChI Key

ZRBSZJGKMVFXCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.51

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

2.973

Distribution Coefficient, logD

2.973

Water Solubility, LogSw

-3.37

Polar Surface Area

52.103

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with E772-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E772-0118?
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What is the minimum amount of E772-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E772-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E772-0118
  • 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 E772-0118 available by request