C862-0091 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-{2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}acetamide

C862-0091 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-{2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}acetamide
C862-0091 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-{2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C862-0091
N-(5-chloro-2,4-dimethoxyphenyl)-2-{2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}acetamide

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

C862-0091

Molecular Formula

C17H16ClN3O4S (C17 H16 ClN3 O4 S)

Compound Name

N-(5-chloro-2,4-dimethoxyphenyl)-2-{2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}acetamide

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-2-{2-oxo-1H2H3H-pyrido[23-b][14]thiazin-1-yl}acetamide

SMILES

COc(c(NC(CN1c(cccn2)c2SCC1=O)=O)c1)cc(OC)c1Cl

InChI

InChI=1S/C17H16ClN3O4S/c1-24-13-7-14(25-2)11(6-10(13)18)20-15(22)8-21-12-4-3-5-19-17(12)26-9-16(21)23/h3-7H,8-9H2,1-2H3,(H,20,22)

InChI Key

CABCVBCFUGJPLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.206

Distribution Coefficient, logD

2.190

Water Solubility, LogSw

-3.10

Polar Surface Area

64.384

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C862-0091 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C862-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C862-0091?
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What is the minimum amount of C862-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C862-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C862-0091
  • 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 C862-0091 available by request