K788-9761 Screening compound: (2Z)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K788-9761 Screening compound: (2Z)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K788-9761 Screening compound: (2Z)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9761
(2Z)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

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

K788-9761

Molecular Formula

C34H39N3O2S (C34 H39 N3 O2 S)

Compound Name

(2Z)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2Z)-N-[3-(35-dimethylpiperidin-1-yl)propyl]-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CC1CN(CCCNC(c(cc2)cc(N(Cc3cc(C)ccc3)C3=O)c2S/C3=C\c2ccccc2)=O)CC(C)C1

InChI

InChI=1S/C34H39N3O2S/c1-24-9-7-12-28(18-24)23-37-30-20-29(33(38)35-15-8-16-36-21-25(2)17-26(3)22-36)13-14-31(30)40-32(34(37)39)19-27-10-5-4-6-11-27/h4-7,9-14,18-20,25-26H,8,15-17,21-23H2,1-3H3,(H,35,38)

InChI Key

ABKKAJMGWBGMKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.032

Distribution Coefficient, logD

4.485

Water Solubility, LogSw

-5.50

Polar Surface Area

43.174

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

9.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with K788-9761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9761?
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What is the minimum amount of K788-9761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9761
  • 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 K788-9761 available by request