K784-6414 Screening compound: 1-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloroacetamido}-N-cycloheptylcyclohexane-1-carboxamide

K784-6414 Screening compound: 1-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloroacetamido}-N-cycloheptylcyclohexane-1-carboxamide
K784-6414 Screening compound: 1-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloroacetamido}-N-cycloheptylcyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-6414
1-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloroacetamido}-N-cycloheptylcyclohexane-1-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

K784-6414

Molecular Formula

C24H33ClN2O4 (C24 H33 ClN2 O4)

Compound Name

1-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloroacetamido}-N-cycloheptylcyclohexane-1-carboxamide

IUPAC name

1-{N-[(2H-13-benzodioxol-5-yl)methyl]-2-chloroacetamido}-N-cycloheptylcyclohexane-1-carboxamide

SMILES

O=C(CCl)N(Cc(cc1)cc2c1OCO2)C1(CCCCC1)C(NC1CCCCCC1)=O

InChI

InChI=1S/C24H33ClN2O4/c25-15-22(28)27(16-18-10-11-20-21(14-18)31-17-30-20)24(12-6-3-7-13-24)23(29)26-19-8-4-1-2-5-9-19/h10-11,14,19H,1-9,12-13,15-17H2,(H,26,29)

InChI Key

ZUCWWOHFKQZMQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.082

Distribution Coefficient, logD

5.082

Water Solubility, LogSw

-4.92

Polar Surface Area

56.735

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

K784-6414 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K784-6414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-6414?
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What is the minimum amount of K784-6414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-6414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-6414
  • 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 K784-6414 available by request