K940-4051 Screening compound: 3-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide

K940-4051 Screening compound: 3-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
K940-4051 Screening compound: 3-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K940-4051
3-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide

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

K940-4051

Molecular Formula

C20H23ClFN3O4S (C20 H23 ClFN3 O4 S)

Compound Name

3-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide

IUPAC name

3-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide

SMILES

COc(ccc(Cl)c1)c1S(N1CCN(CCC(Nc(cccc2)c2F)=O)CC1)(=O)=O

InChI

InChI=1S/C20H23ClFN3O4S/c1-29-18-7-6-15(21)14-19(18)30(27,28)25-12-10-24(11-13-25)9-8-20(26)23-17-5-3-2-4-16(17)22/h2-7,14H,8-13H2,1H3,(H,23,26)

InChI Key

XMRQZHXOLXRLMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.349

Distribution Coefficient, logD

2.346

Water Solubility, LogSw

-3.40

Polar Surface Area

65.550

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with K940-4051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K940-4051?
Check Price and Availability of K940-4051, 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 K940-4051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K940-4051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K940-4051
  • 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 K940-4051 available by request