C310-1114 Screening compound: (2Z)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C310-1114 Screening compound: (2Z)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C310-1114 Screening compound: (2Z)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C310-1114
(2Z)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-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

C310-1114

Molecular Formula

C31H33ClN4O3S (C31 H33 ClN4 O3 S)

Compound Name

(2Z)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2Z)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxo-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CN(c(cc(cc1)C(NCCCN(CC2)CCN2c2cccc(Cl)c2)=O)c1S/C1=C\c(cc2)ccc2OC)C1=O

InChI

InChI=1S/C31H33ClN4O3S/c1-34-27-20-23(9-12-28(27)40-29(31(34)38)19-22-7-10-26(39-2)11-8-22)30(37)33-13-4-14-35-15-17-36(18-16-35)25-6-3-5-24(32)21-25/h3,5-12,19-21H,4,13-18H2,1-2H3,(H,33,37)

InChI Key

WFXMFBGZSSHYHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

577.15

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.852

Distribution Coefficient, logD

4.308

Water Solubility, LogSw

-4.98

Polar Surface Area

54.148

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

References: we are preparing a list of scientific research reports with C310-1114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C310-1114?
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What is the minimum amount of C310-1114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C310-1114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C310-1114
  • 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 C310-1114 available by request