E867-0837 Screening compound: 6,8-dimethyl-N-(4-{[3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

E867-0837 Screening compound: 6,8-dimethyl-N-(4-{[3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide
E867-0837 Screening compound: 6,8-dimethyl-N-(4-{[3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E867-0837
6,8-dimethyl-N-(4-{[3-(2-oxopyrrolidin-1-yl)propyl]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

E867-0837

Molecular Formula

C24H29N5O3S (C24 H29 N5 O3 S)

Compound Name

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

IUPAC name

68-dimethyl-N-(4-{[3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl}phenyl)-1H2H3H-pyrido[23-b][14]thiazine-1-carboxamide

SMILES

Cc(cc(C)nc1SCC2)c1N2C(Nc(cc1)ccc1C(NCCCN(CCC1)C1=O)=O)=O

InChI

InChI=1S/C24H29N5O3S/c1-16-15-17(2)26-23-21(16)29(13-14-33-23)24(32)27-19-8-6-18(7-9-19)22(31)25-10-4-12-28-11-3-5-20(28)30/h6-9,15H,3-5,10-14H2,1-2H3,(H,25,31)(H,27,32)

InChI Key

VZIKRRWBRSICRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.972

Distribution Coefficient, logD

1.972

Water Solubility, LogSw

-2.67

Polar Surface Area

77.723

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

E867-0837 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E867-0837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E867-0837?
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What is the minimum amount of E867-0837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E867-0837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E867-0837
  • 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 E867-0837 available by request