E862-0100 Screening compound: methyl 2-({6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carbonyl}amino)benzoate

E862-0100 Screening compound: methyl 2-({6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carbonyl}amino)benzoate
E862-0100 Screening compound: methyl 2-({6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E862-0100
methyl 2-({6,8-dimethyl-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

E862-0100

Molecular Formula

C18H19N3O3S (C18 H19 N3 O3 S)

Compound Name

methyl 2-({6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carbonyl}amino)benzoate

IUPAC name

methyl 2-({68-dimethyl-1H2H3H-pyrido[23-b][14]thiazine-1-carbonyl}amino)benzoate

SMILES

Cc(cc(C)nc1SCC2)c1N2C(Nc(cccc1)c1C(OC)=O)=O

InChI

InChI=1S/C18H19N3O3S/c1-11-10-12(2)19-16-15(11)21(8-9-25-16)18(23)20-14-7-5-4-6-13(14)17(22)24-3/h4-7,10H,8-9H2,1-3H3,(H,20,23)

InChI Key

RNXYSAVCIOZPCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27602941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.43

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

3.772

Distribution Coefficient, logD

3.769

Water Solubility, LogSw

-3.92

Polar Surface Area

56.432

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

E862-0100 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E862-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E862-0100?
Check Price and Availability of E862-0100, 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 E862-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E862-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E862-0100
  • 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 E862-0100 available by request