C310-2367 Screening compound: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one

C310-2367 Screening compound: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one
C310-2367 Screening compound: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C310-2367
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one

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

C310-2367

Molecular Formula

C29H28FN3O4S (C29 H28 FN3 O4 S)

Compound Name

(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2Z)-2-[(34-dimethoxyphenyl)methylidene]-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methyl-34-dihydro-2H-14-benzothiazin-3-one

SMILES

CN(c(cc(cc1)C(N(CC2)CCN2c(cc2)ccc2F)=O)c1S/C1=C\c(cc2)cc(OC)c2OC)C1=O

InChI

InChI=1S/C29H28FN3O4S/c1-31-23-18-20(28(34)33-14-12-32(13-15-33)22-8-6-21(30)7-9-22)5-11-26(23)38-27(29(31)35)17-19-4-10-24(36-2)25(16-19)37-3/h4-11,16-18H,12-15H2,1-3H3

InChI Key

KFLONNFFIOPUKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.075

Distribution Coefficient, logD

4.075

Water Solubility, LogSw

-4.31

Polar Surface Area

50.276

Acid Dissociation Constant (pKa)

28.00

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with C310-2367 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C310-2367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C310-2367
  • 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 C310-2367 available by request