K788-9314 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

K788-9314 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide
K788-9314 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9314
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}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

K788-9314

Molecular Formula

C32H32N2O2S (C32 H32 N2 O2 S)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]methyl}benzamide

SMILES

Cc1c(CN(c(cccc2)c2S/C2=C/c(cc3)ccc3C(NCCC3=CCCCC3)=O)C2=O)cccc1

InChI

InChI=1S/C32H32N2O2S/c1-23-9-5-6-12-27(23)22-34-28-13-7-8-14-29(28)37-30(32(34)36)21-25-15-17-26(18-16-25)31(35)33-20-19-24-10-3-2-4-11-24/h5-10,12-18,21H,2-4,11,19-20,22H2,1H3,(H,33,35)

InChI Key

KCICFFFTOBCHEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.064

Distribution Coefficient, logD

7.064

Water Solubility, LogSw

-5.64

Polar Surface Area

39.517

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

-2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with K788-9314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9314?
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What is the minimum amount of K788-9314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9314
  • 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 K788-9314 available by request