K784-3801 Screening compound: 2-{2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamido}-2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide

K784-3801 Screening compound: 2-{2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamido}-2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
K784-3801 Screening compound: 2-{2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamido}-2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-3801
2-{2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamido}-2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide

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

K784-3801

Molecular Formula

C27H31Cl2N3O2 (C27 H31 Cl2 N3 O2)

Compound Name

2-{2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamido}-2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide

IUPAC name

2-{2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamido}-2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide

SMILES

CC(CCCC1)C1NC(C(c(cccc1)c1Cl)N(CCc1c[nH]c2c1cccc2)C(CCl)=O)=O

InChI

InChI=1S/C27H31Cl2N3O2/c1-18-8-2-6-12-23(18)31-27(34)26(21-10-3-5-11-22(21)29)32(25(33)16-28)15-14-19-17-30-24-13-7-4-9-20(19)24/h3-5,7,9-11,13,17-18,23,26,30H,2,6,8,12,14-16H2,1H3,(H,31,34)

InChI Key

JCFWCPUOXNUXOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28992342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.661

Distribution Coefficient, logD

5.661

Water Solubility, LogSw

-5.87

Polar Surface Area

49.284

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.70

K784-3801 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K784-3801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-3801?
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What is the minimum amount of K784-3801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-3801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-3801
  • 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 K784-3801 available by request