K784-4975 Screening compound: 2-{2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamido}-N-cyclohexyl-2-(4-fluorophenyl)acetamide

K784-4975 Screening compound: 2-{2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamido}-N-cyclohexyl-2-(4-fluorophenyl)acetamide
K784-4975 Screening compound: 2-{2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamido}-N-cyclohexyl-2-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4975
2-{2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamido}-N-cyclohexyl-2-(4-fluorophenyl)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

K784-4975

Molecular Formula

C25H28ClFN2O4 (C25 H28 ClFN2 O4)

Compound Name

2-{2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamido}-N-cyclohexyl-2-(4-fluorophenyl)acetamide

IUPAC name

2-{2-chloro-N-[(23-dihydro-14-benzodioxin-2-yl)methyl]acetamido}-N-cyclohexyl-2-(4-fluorophenyl)acetamide

SMILES

O=C(CCl)N(CC1Oc(cccc2)c2OC1)C(C(NC1CCCCC1)=O)c(cc1)ccc1F

InChI

InChI=1S/C25H28ClFN2O4/c26-14-23(30)29(15-20-16-32-21-8-4-5-9-22(21)33-20)24(17-10-12-18(27)13-11-17)25(31)28-19-6-2-1-3-7-19/h4-5,8-13,19-20,24H,1-3,6-7,14-16H2,(H,28,31)

InChI Key

RHJVEGKZBSPXAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.296

Distribution Coefficient, logD

4.296

Water Solubility, LogSw

-4.26

Polar Surface Area

54.724

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

K784-4975 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K784-4975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4975?
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What is the minimum amount of K784-4975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4975
  • 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 K784-4975 available by request