K781-2558 Screening compound: {N}-allyl-4-[(2-chlorophenyl)sulfonyl]-3-nitrobenzamide

K781-2558 Screening compound: {N}-allyl-4-[(2-chlorophenyl)sulfonyl]-3-nitrobenzamide
K781-2558 Screening compound: {N}-allyl-4-[(2-chlorophenyl)sulfonyl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-2558
{N}-allyl-4-[(2-chlorophenyl)sulfonyl]-3-nitrobenzamide

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

K781-2558

Molecular Formula

C16H13ClN2O5S (C16 H13 ClN2 O5 S)

Compound Name

{N}-allyl-4-[(2-chlorophenyl)sulfonyl]-3-nitrobenzamide

IUPAC name

n/a

SMILES

C=CCNC(c(cc1)cc([N+]([O-])=O)c1S(c(cccc1)c1Cl)(=O)=O)=O

InChI

InChI=1S/C16H13ClN2O5S/c1-2-9-18-16(20)11-7-8-15(13(10-11)19(21)22)25(23,24)14-6-4-3-5-12(14)17/h2-8,10H,1,9H2,(H,18,20)

InChI Key

IWOOBXHKKRNZNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.81

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.522

Distribution Coefficient, logD

2.522

Water Solubility, LogSw

-3.43

Polar Surface Area

87.346

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

-3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

K781-2558 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K781-2558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-2558?
Check Price and Availability of K781-2558, 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 K781-2558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-2558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-2558
  • 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 K781-2558 available by request