E862-0076 Screening compound: methyl 3-({1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carbonyl}amino)benzoate

E862-0076 Screening compound: methyl 3-({1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carbonyl}amino)benzoate
E862-0076 Screening compound: methyl 3-({1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E862-0076
methyl 3-({1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carbonyl}amino)benzoate

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

E862-0076

Molecular Formula

C16H15N3O3S (C16 H15 N3 O3 S)

Compound Name

methyl 3-({1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carbonyl}amino)benzoate

IUPAC name

methyl 3-({1H2H3H-pyrido[23-b][14]thiazine-1-carbonyl}amino)benzoate

SMILES

COC(c1cccc(NC(N2c3cccnc3SCC2)=O)c1)=O

InChI

InChI=1S/C16H15N3O3S/c1-22-15(20)11-4-2-5-12(10-11)18-16(21)19-8-9-23-14-13(19)6-3-7-17-14/h2-7,10H,8-9H2,1H3,(H,18,21)

InChI Key

PWRXZVVHMXRHHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.820

Distribution Coefficient, logD

2.820

Water Solubility, LogSw

-3.46

Polar Surface Area

56.598

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

E862-0076 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Cancer
  • Endocrine
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with E862-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E862-0076?
Check Price and Availability of E862-0076, 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 E862-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E862-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E862-0076
  • 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 E862-0076 available by request