C308-0029 Screening compound: 4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(4-methylcyclohexyl)benzamide

C308-0029 Screening compound: 4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(4-methylcyclohexyl)benzamide
C308-0029 Screening compound: 4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(4-methylcyclohexyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C308-0029
4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(4-methylcyclohexyl)benzamide

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

C308-0029

Molecular Formula

C30H29FN2O2S (C30 H29 FN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCC1NC(c1ccc(/C=C2\Sc(cccc3)c3N(Cc(cccc3)c3F)C2=O)cc1)=O

InChI

InChI=1S/C30H29FN2O2S/c1-20-10-16-24(17-11-20)32-29(34)22-14-12-21(13-15-22)18-28-30(35)33(19-23-6-2-3-7-25(23)31)26-8-4-5-9-27(26)36-28/h2-9,12-15,18,20,24H,10-11,16-17,19H2,1H3,(H,32,34)

InChI Key

SXVCHYSAYXLWRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.423

Distribution Coefficient, logD

7.423

Water Solubility, LogSw

-5.74

Polar Surface Area

39.208

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

C308-0029 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C308-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C308-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C308-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C308-0029
  • 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 C308-0029 available by request