K838-0075 Screening compound: N,N-diethyl-2-{3-[(4-methylpiperidin-1-yl)sulfonyl]benzamido}benzamide

K838-0075 Screening compound: N,N-diethyl-2-{3-[(4-methylpiperidin-1-yl)sulfonyl]benzamido}benzamide
K838-0075 Screening compound: N,N-diethyl-2-{3-[(4-methylpiperidin-1-yl)sulfonyl]benzamido}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K838-0075
N,N-diethyl-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

K838-0075

Molecular Formula

C24H31N3O4S (C24 H31 N3 O4 S)

Compound Name

N,N-diethyl-2-{3-[(4-methylpiperidin-1-yl)sulfonyl]benzamido}benzamide

IUPAC name

NN-diethyl-2-{3-[(4-methylpiperidin-1-yl)sulfonyl]benzamido}benzamide

SMILES

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

InChI

InChI=1S/C24H31N3O4S/c1-4-26(5-2)24(29)21-11-6-7-12-22(21)25-23(28)19-9-8-10-20(17-19)32(30,31)27-15-13-18(3)14-16-27/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,25,28)

InChI Key

CXBJRMGAFHHWIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15110496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.518

Distribution Coefficient, logD

3.321

Water Solubility, LogSw

-3.79

Polar Surface Area

70.275

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

K838-0075 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K838-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K838-0075?
Check Price and Availability of K838-0075, 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 K838-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K838-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K838-0075
  • 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 K838-0075 available by request