K838-0067 Screening compound: N-ETHYL-2-{3-[(4-METHYLPIPERIDIN-1-YL)SULFONYL]BENZAMIDO}BENZAMIDE

K838-0067 Screening compound: N-ETHYL-2-{3-[(4-METHYLPIPERIDIN-1-YL)SULFONYL]BENZAMIDO}BENZAMIDE
K838-0067 Screening compound: N-ETHYL-2-{3-[(4-METHYLPIPERIDIN-1-YL)SULFONYL]BENZAMIDO}BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K838-0067
N-ETHYL-2-{3-[(4-METHYLPIPERIDIN-1-YL)SULFONYL]BENZAMIDO}BENZAMIDE

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

K838-0067

Molecular Formula

C22H27N3O4S (C22 H27 N3 O4 S)

Compound Name

N-ETHYL-2-{3-[(4-METHYLPIPERIDIN-1-YL)SULFONYL]BENZAMIDO}BENZAMIDE

IUPAC name

n/a

SMILES

CCNC(c(cccc1)c1NC(c1cccc(S(N2CCC(C)CC2)(=O)=O)c1)=O)=O

InChI

InChI=1S/C22H27N3O4S/c1-3-23-22(27)19-9-4-5-10-20(19)24-21(26)17-7-6-8-18(15-17)30(28,29)25-13-11-16(2)12-14-25/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,27)(H,24,26)

InChI Key

SSWCYFNAIIGXBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15110490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.035

Distribution Coefficient, logD

2.968

Water Solubility, LogSw

-3.70

Polar Surface Area

78.653

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.00

K838-0067 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 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 K838-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K838-0067?
Check Price and Availability of K838-0067, 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 K838-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K838-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K838-0067
  • 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 K838-0067 available by request