K788-9055 Screening compound: ethyl 1-(4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzoyl)piperidine-3-carboxylate

K788-9055 Screening compound: ethyl 1-(4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzoyl)piperidine-3-carboxylate
K788-9055 Screening compound: ethyl 1-(4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzoyl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9055
ethyl 1-(4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzoyl)piperidine-3-carboxylate

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

K788-9055

Molecular Formula

C32H32N2O4S (C32 H32 N2 O4 S)

Compound Name

ethyl 1-(4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzoyl)piperidine-3-carboxylate

IUPAC name

ethyl 1-(4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]methyl}benzoyl)piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1ccc(/C=C2/Sc(cccc3)c3N(Cc3c(C)cccc3)C2=O)cc1)=O)=O

InChI

InChI=1S/C32H32N2O4S/c1-3-38-32(37)26-11-8-18-33(20-26)30(35)24-16-14-23(15-17-24)19-29-31(36)34(21-25-10-5-4-9-22(25)2)27-12-6-7-13-28(27)39-29/h4-7,9-10,12-17,19,26H,3,8,11,18,20-21H2,1-2H3/t26-/m0/s1

InChI Key

SKODMNHSRKNDRF-SANMLTNESA-N

MDL Number (MFCD)

MFCD15108236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.124

Distribution Coefficient, logD

6.124

Water Solubility, LogSw

-5.46

Polar Surface Area

52.405

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

-4.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.10

References: we are preparing a list of scientific research reports with K788-9055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9055?
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What is the minimum amount of K788-9055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9055
  • 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 K788-9055 available by request