K978-0793 Screening compound: N-allyl-3-[(4-bromophenyl)sulfonyl]-N-phenylpropanamide

K978-0793 Screening compound: N-allyl-3-[(4-bromophenyl)sulfonyl]-N-phenylpropanamide
K978-0793 Screening compound: N-allyl-3-[(4-bromophenyl)sulfonyl]-N-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0793
N-allyl-3-[(4-bromophenyl)sulfonyl]-N-phenylpropanamide

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

K978-0793

Molecular Formula

C18H18BrNO3S (C18 H18 BrNO3 S)

Compound Name

N-allyl-3-[(4-bromophenyl)sulfonyl]-N-phenylpropanamide

IUPAC name

3-(4-bromobenzenesulfonyl)-N-phenyl-N-(prop-2-en-1-yl)propanamide

SMILES

C=CCN(C(CCS(c(cc1)ccc1Br)(=O)=O)=O)c1ccccc1

InChI

InChI=1S/C18H18BrNO3S/c1-2-13-20(16-6-4-3-5-7-16)18(21)12-14-24(22,23)17-10-8-15(19)9-11-17/h2-11H,1,12-14H2

InChI Key

GUAHEEYAULKOLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.790

Distribution Coefficient, logD

3.790

Water Solubility, LogSw

-4.07

Polar Surface Area

44.348

Acid Dissociation Constant (pKa)

19.96

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

K978-0793 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K978-0793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0793?
Check Price and Availability of K978-0793, 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 K978-0793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0793
  • 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 K978-0793 available by request