C312-1018 Screening compound: 2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide

C312-1018 Screening compound: 2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
C312-1018 Screening compound: 2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C312-1018
2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide

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

C312-1018

Molecular Formula

C25H29ClN4O2S (C25 H29 ClN4 O2 S)

Compound Name

2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide

IUPAC name

2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide

SMILES

CN1CCN(CCCNC(CN(c(cccc2)c2S/C2=C/c(cccc3)c3Cl)C2=O)=O)CC1

InChI

InChI=1S/C25H29ClN4O2S/c1-28-13-15-29(16-14-28)12-6-11-27-24(31)18-30-21-9-4-5-10-22(21)33-23(25(30)32)17-19-7-2-3-8-20(19)26/h2-5,7-10,17H,6,11-16,18H2,1H3,(H,27,31)

InChI Key

ZGDKVOIQNZFBNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.05

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.173

Distribution Coefficient, logD

1.968

Water Solubility, LogSw

-3.48

Polar Surface Area

46.842

Acid Dissociation Constant (pKa)

15.78

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with C312-1018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C312-1018?
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What is the minimum amount of C312-1018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C312-1018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C312-1018
  • 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 C312-1018 available by request