E867-0544 Screening compound: N-{3-[(3-fluoro-4-methylphenyl)carbamoyl]phenyl}-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

E867-0544 Screening compound: N-{3-[(3-fluoro-4-methylphenyl)carbamoyl]phenyl}-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide
E867-0544 Screening compound: N-{3-[(3-fluoro-4-methylphenyl)carbamoyl]phenyl}-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E867-0544
N-{3-[(3-fluoro-4-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

E867-0544

Molecular Formula

C22H19FN4O2S (C22 H19 FN4 O2 S)

Compound Name

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

IUPAC name

N-{3-[(3-fluoro-4-methylphenyl)carbamoyl]phenyl}-1H2H3H-pyrido[23-b][14]thiazine-1-carboxamide

SMILES

Cc(ccc(NC(c1cccc(NC(N2c3cccnc3SCC2)=O)c1)=O)c1)c1F

InChI

InChI=1S/C22H19FN4O2S/c1-14-7-8-17(13-18(14)23)25-20(28)15-4-2-5-16(12-15)26-22(29)27-10-11-30-21-19(27)6-3-9-24-21/h2-9,12-13H,10-11H2,1H3,(H,25,28)(H,26,29)

InChI Key

JVLOVTMHRAALIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

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

4.330

Distribution Coefficient, logD

4.323

Water Solubility, LogSw

-4.26

Polar Surface Area

58.516

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

E867-0544 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E867-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E867-0544?
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What is the minimum amount of E867-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E867-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E867-0544
  • 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 E867-0544 available by request