C308-0641 Screening compound: 4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-methylbenzamide

C308-0641 Screening compound: 4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-methylbenzamide
C308-0641 Screening compound: 4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C308-0641
4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-methylbenzamide

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

C308-0641

Molecular Formula

C24H19FN2O2S (C24 H19 FN2 O2 S)

Compound Name

4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-methylbenzamide

IUPAC name

4-{[(2Z)-4-[(4-fluorophenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]methyl}-N-methylbenzamide

SMILES

CNC(c1ccc(/C=C2\Sc(cccc3)c3N(Cc(cc3)ccc3F)C2=O)cc1)=O

InChI

InChI=1S/C24H19FN2O2S/c1-26-23(28)18-10-6-16(7-11-18)14-22-24(29)27(15-17-8-12-19(25)13-9-17)20-4-2-3-5-21(20)30-22/h2-14H,15H2,1H3,(H,26,28)

InChI Key

CJYGROLPRVYHSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14747045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.593

Distribution Coefficient, logD

4.593

Water Solubility, LogSw

-4.29

Polar Surface Area

39.905

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with C308-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C308-0641?
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What is the minimum amount of C308-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C308-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C308-0641
  • 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 C308-0641 available by request