K673-0057 Screening compound: {4-[(2-chlorobenzyl)sulfonyl]-3-nitrophenyl}[4-(4-methoxyphenyl)piperazino]methanone

K673-0057 Screening compound: {4-[(2-chlorobenzyl)sulfonyl]-3-nitrophenyl}[4-(4-methoxyphenyl)piperazino]methanone
K673-0057 Screening compound: {4-[(2-chlorobenzyl)sulfonyl]-3-nitrophenyl}[4-(4-methoxyphenyl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound K673-0057
{4-[(2-chlorobenzyl)sulfonyl]-3-nitrophenyl}[4-(4-methoxyphenyl)piperazino]methanone

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

K673-0057

Molecular Formula

C25H24ClN3O6S (C25 H24 ClN3 O6 S)

Compound Name

{4-[(2-chlorobenzyl)sulfonyl]-3-nitrophenyl}[4-(4-methoxyphenyl)piperazino]methanone

IUPAC name

1-{4-[(2-chlorophenyl)methanesulfonyl]-3-nitrobenzoyl}-4-(4-methoxyphenyl)piperazine

SMILES

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

InChI

InChI=1S/C25H24ClN3O6S/c1-35-21-9-7-20(8-10-21)27-12-14-28(15-13-27)25(30)18-6-11-24(23(16-18)29(31)32)36(33,34)17-19-4-2-3-5-22(19)26/h2-11,16H,12-15,17H2,1H3

InChI Key

GEGFLSQLSHXSAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.441

Distribution Coefficient, logD

4.441

Water Solubility, LogSw

-4.52

Polar Surface Area

89.536

Acid Dissociation Constant (pKa)

19.71

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

K673-0057 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 K673-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K673-0057?
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What is the minimum amount of K673-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K673-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K673-0057
  • 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 K673-0057 available by request