C310-1659 Screening compound: (2Z)-2-[(3-chlorophenyl)methylidene]-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C310-1659 Screening compound: (2Z)-2-[(3-chlorophenyl)methylidene]-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C310-1659 Screening compound: (2Z)-2-[(3-chlorophenyl)methylidene]-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C310-1659
(2Z)-2-[(3-chlorophenyl)methylidene]-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-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

C310-1659

Molecular Formula

C30H30ClFN4O2S (C30 H30 ClFN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CN(c(cc(cc1)C(NCCCN(CC2)CCN2c(cc2)ccc2F)=O)c1S/C1=C\c2cccc(Cl)c2)C1=O

InChI

InChI=1S/C30H30ClFN4O2S/c1-34-26-20-22(6-11-27(26)39-28(30(34)38)19-21-4-2-5-23(31)18-21)29(37)33-12-3-13-35-14-16-36(17-15-35)25-9-7-24(32)8-10-25/h2,4-11,18-20H,3,12-17H2,1H3,(H,33,37)

InChI Key

KMDFRJJLAJNWMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.11

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.975

Distribution Coefficient, logD

4.431

Water Solubility, LogSw

-5.05

Polar Surface Area

46.605

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with C310-1659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C310-1659?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C310-1659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C310-1659
  • 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 C310-1659 available by request