K788-9063 Screening compound: ethyl 1-(4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzoyl)piperidine-4-carboxylate

K788-9063 Screening compound: ethyl 1-(4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzoyl)piperidine-4-carboxylate
K788-9063 Screening compound: ethyl 1-(4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzoyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9063
ethyl 1-(4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzoyl)piperidine-4-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

K788-9063

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-4-carboxylate

IUPAC name

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

SMILES

CCOC(C(CC1)CCN1C(c1ccc(/C=C2/Sc(cccc3)c3N(Cc3c(C)cccc3)C2=O)cc1)=O)=O

InChI

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

InChI Key

WJUJDYNJEKZJEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108244

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

6.088

Distribution Coefficient, logD

6.088

Water Solubility, LogSw

-5.47

Polar Surface Area

52.472

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

References: we are preparing a list of scientific research reports with K788-9063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9063?
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What is the minimum amount of K788-9063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9063
  • 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 K788-9063 available by request