K788-9976 Screening compound: N-[3-(2-ethylpiperidin-1-yl)propyl]-4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

K788-9976 Screening compound: N-[3-(2-ethylpiperidin-1-yl)propyl]-4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide
K788-9976 Screening compound: N-[3-(2-ethylpiperidin-1-yl)propyl]-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 K788-9976
N-[3-(2-ethylpiperidin-1-yl)propyl]-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

K788-9976

Molecular Formula

C34H39N3O2S (C34 H39 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCC1N(CCCNC(c2ccc(/C=C3/Sc(cccc4)c4N(Cc4c(C)cccc4)C3=O)cc2)=O)CCCC1

InChI

InChI=1S/C34H39N3O2S/c1-3-29-13-8-9-21-36(29)22-10-20-35-33(38)27-18-16-26(17-19-27)23-32-34(39)37(24-28-12-5-4-11-25(28)2)30-14-6-7-15-31(30)40-32/h4-7,11-12,14-19,23,29H,3,8-10,13,20-22,24H2,1-2H3,(H,35,38)/t29-/m0/s1

InChI Key

MACYPRSWFHEMQG-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD15108927

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

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.778

Distribution Coefficient, logD

3.911

Water Solubility, LogSw

-5.65

Polar Surface Area

43.119

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

10.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with K788-9976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9976?
Check Price and Availability of K788-9976, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K788-9976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9976
  • 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 K788-9976 available by request