K940-1047 Screening compound: 2-(4-{[(4-chlorophenyl)carbamoyl]methyl}piperazin-1-yl)-N-(5-acetamido-2-methoxyphenyl)acetamide

K940-1047 Screening compound: 2-(4-{[(4-chlorophenyl)carbamoyl]methyl}piperazin-1-yl)-N-(5-acetamido-2-methoxyphenyl)acetamide
K940-1047 Screening compound: 2-(4-{[(4-chlorophenyl)carbamoyl]methyl}piperazin-1-yl)-N-(5-acetamido-2-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K940-1047
2-(4-{[(4-chlorophenyl)carbamoyl]methyl}piperazin-1-yl)-N-(5-acetamido-2-methoxyphenyl)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

K940-1047

Molecular Formula

C23H28ClN5O4 (C23 H28 ClN5 O4)

Compound Name

2-(4-{[(4-chlorophenyl)carbamoyl]methyl}piperazin-1-yl)-N-(5-acetamido-2-methoxyphenyl)acetamide

IUPAC name

2-(4-{[(4-chlorophenyl)carbamoyl]methyl}piperazin-1-yl)-N-(5-acetamido-2-methoxyphenyl)acetamide

SMILES

CC(Nc(cc1)cc(NC(CN2CCN(CC(Nc(cc3)ccc3Cl)=O)CC2)=O)c1OC)=O

InChI

InChI=1S/C23H28ClN5O4/c1-16(30)25-19-7-8-21(33-2)20(13-19)27-23(32)15-29-11-9-28(10-12-29)14-22(31)26-18-5-3-17(24)4-6-18/h3-8,13H,9-12,14-15H2,1-2H3,(H,25,30)(H,26,31)(H,27,32)

InChI Key

FCTXHLGPWIWGPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.96

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.618

Distribution Coefficient, logD

2.618

Water Solubility, LogSw

-3.35

Polar Surface Area

84.005

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

K940-1047 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K940-1047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K940-1047?
Check Price and Availability of K940-1047, 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 K940-1047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K940-1047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K940-1047
  • 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 K940-1047 available by request