K781-2549 Screening compound: 1-[4-(2-chlorobenzenesulfonyl)-3-nitrobenzoyl]-4-(4-methoxyphenyl)piperazine

K781-2549 Screening compound: 1-[4-(2-chlorobenzenesulfonyl)-3-nitrobenzoyl]-4-(4-methoxyphenyl)piperazine
K781-2549 Screening compound: 1-[4-(2-chlorobenzenesulfonyl)-3-nitrobenzoyl]-4-(4-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-2549
1-[4-(2-chlorobenzenesulfonyl)-3-nitrobenzoyl]-4-(4-methoxyphenyl)piperazine

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

K781-2549

Molecular Formula

C24H22ClN3O6S (C24 H22 ClN3 O6 S)

Compound Name

1-[4-(2-chlorobenzenesulfonyl)-3-nitrobenzoyl]-4-(4-methoxyphenyl)piperazine

IUPAC name

1-[4-(2-chlorobenzenesulfonyl)-3-nitrobenzoyl]-4-(4-methoxyphenyl)piperazine

SMILES

COc(cc1)ccc1N(CC1)CCN1C(c(cc1)cc([N+]([O-])=O)c1S(c(cccc1)c1Cl)(=O)=O)=O

InChI

InChI=1S/C24H22ClN3O6S/c1-34-19-9-7-18(8-10-19)26-12-14-27(15-13-26)24(29)17-6-11-23(21(16-17)28(30)31)35(32,33)22-5-3-2-4-20(22)25/h2-11,16H,12-15H2,1H3

InChI Key

OTUCFFDVPOMODK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.97

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.763

Distribution Coefficient, logD

3.763

Water Solubility, LogSw

-4.18

Polar Surface Area

90.272

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

K781-2549 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K781-2549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-2549?
Check Price and Availability of K781-2549, 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 K781-2549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-2549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-2549
  • 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 K781-2549 available by request