E867-0035 Screening compound: N-{4-[(5-chloro-2-methylphenyl)carbamoyl]phenyl}-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

E867-0035 Screening compound: N-{4-[(5-chloro-2-methylphenyl)carbamoyl]phenyl}-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide
E867-0035 Screening compound: N-{4-[(5-chloro-2-methylphenyl)carbamoyl]phenyl}-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E867-0035
N-{4-[(5-chloro-2-methylphenyl)carbamoyl]phenyl}-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

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

E867-0035

Molecular Formula

C22H19ClN4O2S (C22 H19 ClN4 O2 S)

Compound Name

N-{4-[(5-chloro-2-methylphenyl)carbamoyl]phenyl}-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

IUPAC name

N-{4-[(5-chloro-2-methylphenyl)carbamoyl]phenyl}-1H2H3H-pyrido[23-b][14]thiazine-1-carboxamide

SMILES

Cc(ccc(Cl)c1)c1NC(c(cc1)ccc1NC(N1c(cccn2)c2SCC1)=O)=O

InChI

InChI=1S/C22H19ClN4O2S/c1-14-4-7-16(23)13-18(14)26-20(28)15-5-8-17(9-6-15)25-22(29)27-11-12-30-21-19(27)3-2-10-24-21/h2-10,13H,11-12H2,1H3,(H,25,29)(H,26,28)

InChI Key

VZPXATWCAAFUSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.035

Distribution Coefficient, logD

4.021

Water Solubility, LogSw

-4.39

Polar Surface Area

57.818

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

E867-0035 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with E867-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E867-0035?
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What is the minimum amount of E867-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E867-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E867-0035
  • 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 E867-0035 available by request