C862-0813 Screening compound: N-[3-(4-ethylpiperazin-1-yl)propyl]-4-{2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}butanamide

C862-0813 Screening compound: N-[3-(4-ethylpiperazin-1-yl)propyl]-4-{2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}butanamide
C862-0813 Screening compound: N-[3-(4-ethylpiperazin-1-yl)propyl]-4-{2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C862-0813
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-{2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}butanamide

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

C862-0813

Molecular Formula

C20H31N5O2S (C20 H31 N5 O2 S)

Compound Name

N-[3-(4-ethylpiperazin-1-yl)propyl]-4-{2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}butanamide

IUPAC name

N-[3-(4-ethylpiperazin-1-yl)propyl]-4-{2-oxo-1H2H3H-pyrido[23-b][14]thiazin-1-yl}butanamide

SMILES

CCN1CCN(CCCNC(CCCN2c3cccnc3SCC2=O)=O)CC1

InChI

InChI=1S/C20H31N5O2S/c1-2-23-12-14-24(15-13-23)10-5-9-21-18(26)7-4-11-25-17-6-3-8-22-20(17)28-16-19(25)27/h3,6,8H,2,4-5,7,9-16H2,1H3,(H,21,26)

InChI Key

DIFXLHIEPBUIJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.441

Distribution Coefficient, logD

-1.389

Water Solubility, LogSw

-1.95

Polar Surface Area

58.482

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

C862-0813 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C862-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C862-0813?
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What is the minimum amount of C862-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C862-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C862-0813
  • 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 C862-0813 available by request