K783-5161 Screening compound: N~8~-[3-(2-ethylpiperidino)propyl]-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide

K783-5161 Screening compound: N~8~-[3-(2-ethylpiperidino)propyl]-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
K783-5161 Screening compound: N~8~-[3-(2-ethylpiperidino)propyl]-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-5161
N~8~-[3-(2-ethylpiperidino)propyl]-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-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

K783-5161

Molecular Formula

C28H37N3OS (C28 H37 N3 OS)

Compound Name

N~8~-[3-(2-ethylpiperidino)propyl]-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

N-[3-(2-ethylpiperidin-1-yl)propyl]-13-methyl-10-propyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene-6-carboxamide

SMILES

CCCC1=Nc(cc(cc2)C(NCCCN3C(CC)CCCC3)=O)c2Sc2c1cc(C)cc2

InChI

InChI=1S/C28H37N3OS/c1-4-9-24-23-18-20(3)11-13-26(23)33-27-14-12-21(19-25(27)30-24)28(32)29-15-8-17-31-16-7-6-10-22(31)5-2/h11-14,18-19,22H,4-10,15-17H2,1-3H3,(H,29,32)/t22-/m0/s1

InChI Key

CLEVJXOSBJOTEQ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03830459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.143

Distribution Coefficient, logD

3.276

Water Solubility, LogSw

-5.34

Polar Surface Area

36.280

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

10.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

K783-5161 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with K783-5161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-5161?
Check Price and Availability of K783-5161, 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 K783-5161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-5161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-5161
  • 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 K783-5161 available by request