E867-0838 Screening compound: N-{4-[(3,5-dimethylphenyl)carbamoyl]phenyl}-6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

E867-0838 Screening compound: N-{4-[(3,5-dimethylphenyl)carbamoyl]phenyl}-6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide
E867-0838 Screening compound: N-{4-[(3,5-dimethylphenyl)carbamoyl]phenyl}-6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E867-0838
N-{4-[(3,5-dimethylphenyl)carbamoyl]phenyl}-6,8-dimethyl-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

E867-0838

Molecular Formula

C25H26N4O2S (C25 H26 N4 O2 S)

Compound Name

N-{4-[(3,5-dimethylphenyl)carbamoyl]phenyl}-6,8-dimethyl-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

IUPAC name

N-{4-[(35-dimethylphenyl)carbamoyl]phenyl}-68-dimethyl-1H2H3H-pyrido[23-b][14]thiazine-1-carboxamide

SMILES

Cc1cc(NC(c(cc2)ccc2NC(N2c3c(C)cc(C)nc3SCC2)=O)=O)cc(C)c1

InChI

InChI=1S/C25H26N4O2S/c1-15-11-16(2)13-21(12-15)27-23(30)19-5-7-20(8-6-19)28-25(31)29-9-10-32-24-22(29)17(3)14-18(4)26-24/h5-8,11-14H,9-10H2,1-4H3,(H,27,30)(H,28,31)

InChI Key

VPEWKLUTFUMDEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.57

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

5.176

Distribution Coefficient, logD

5.175

Water Solubility, LogSw

-4.95

Polar Surface Area

59.047

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

E867-0838 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E867-0838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E867-0838?
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What is the minimum amount of E867-0838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E867-0838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E867-0838
  • 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 E867-0838 available by request