K784-5114 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloroacetamido}-N-cyclohexyl-2-(3-methoxy-4-propoxyphenyl)acetamide

K784-5114 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloroacetamido}-N-cyclohexyl-2-(3-methoxy-4-propoxyphenyl)acetamide
K784-5114 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloroacetamido}-N-cyclohexyl-2-(3-methoxy-4-propoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5114
2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloroacetamido}-N-cyclohexyl-2-(3-methoxy-4-propoxyphenyl)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

K784-5114

Molecular Formula

C28H35ClN2O6 (C28 H35 ClN2 O6)

Compound Name

2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloroacetamido}-N-cyclohexyl-2-(3-methoxy-4-propoxyphenyl)acetamide

IUPAC name

2-{N-[(2H-13-benzodioxol-5-yl)methyl]-2-chloroacetamido}-N-cyclohexyl-2-(3-methoxy-4-propoxyphenyl)acetamide

SMILES

CCCOc(ccc(C(C(NC1CCCCC1)=O)N(Cc(cc1)cc2c1OCO2)C(CCl)=O)c1)c1OC

InChI

InChI=1S/C28H35ClN2O6/c1-3-13-35-22-12-10-20(15-24(22)34-2)27(28(33)30-21-7-5-4-6-8-21)31(26(32)16-29)17-19-9-11-23-25(14-19)37-18-36-23/h9-12,14-15,21,27H,3-8,13,16-18H2,1-2H3,(H,30,33)/t27-/m1/s1

InChI Key

VPFGVURHWCDALU-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD03451351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.05

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.852

Distribution Coefficient, logD

4.852

Water Solubility, LogSw

-4.63

Polar Surface Area

71.295

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

K784-5114 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K784-5114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5114?
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What is the minimum amount of K784-5114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5114
  • 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 K784-5114 available by request