K788-3749 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-1-(morpholine-4-sulfonyl)piperidine-4-carboxamide

K788-3749 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-1-(morpholine-4-sulfonyl)piperidine-4-carboxamide
K788-3749 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-1-(morpholine-4-sulfonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3749
N-{3-[ethyl(3-methylphenyl)amino]propyl}-1-(morpholine-4-sulfonyl)piperidine-4-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

K788-3749

Molecular Formula

C22H36N4O4S (C22 H36 N4 O4 S)

Compound Name

N-{3-[ethyl(3-methylphenyl)amino]propyl}-1-(morpholine-4-sulfonyl)piperidine-4-carboxamide

IUPAC name

N-{3-[ethyl(3-methylphenyl)amino]propyl}-1-(morpholine-4-sulfonyl)piperidine-4-carboxamide

SMILES

CCN(CCCNC(C(CC1)CCN1S(N1CCOCC1)(=O)=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C22H36N4O4S/c1-3-24(21-7-4-6-19(2)18-21)11-5-10-23-22(27)20-8-12-25(13-9-20)31(28,29)26-14-16-30-17-15-26/h4,6-7,18,20H,3,5,8-17H2,1-2H3,(H,23,27)

InChI Key

BVHXWPADPPSRTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.835

Distribution Coefficient, logD

1.803

Water Solubility, LogSw

-2.43

Polar Surface Area

69.508

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.20

K788-3749 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K788-3749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3749?
Check Price and Availability of K788-3749, 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 K788-3749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3749
  • 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 K788-3749 available by request