K673-0226 Screening compound: [4-(2,5-dimethylphenyl)piperazino]{3-nitro-4-[(tetrahydro-2-furanylmethyl)sulfonyl]phenyl}methanone

K673-0226 Screening compound: [4-(2,5-dimethylphenyl)piperazino]{3-nitro-4-[(tetrahydro-2-furanylmethyl)sulfonyl]phenyl}methanone
K673-0226 Screening compound: [4-(2,5-dimethylphenyl)piperazino]{3-nitro-4-[(tetrahydro-2-furanylmethyl)sulfonyl]phenyl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound K673-0226
[4-(2,5-dimethylphenyl)piperazino]{3-nitro-4-[(tetrahydro-2-furanylmethyl)sulfonyl]phenyl}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

K673-0226

Molecular Formula

C24H29N3O6S (C24 H29 N3 O6 S)

Compound Name

[4-(2,5-dimethylphenyl)piperazino]{3-nitro-4-[(tetrahydro-2-furanylmethyl)sulfonyl]phenyl}methanone

IUPAC name

1-(25-dimethylphenyl)-4-{3-nitro-4-[(oxolan-2-yl)methanesulfonyl]benzoyl}piperazine

SMILES

Cc1cc(N(CC2)CCN2C(c(cc2)cc([N+]([O-])=O)c2S(CC2OCCC2)(=O)=O)=O)c(C)cc1

InChI

InChI=1S/C24H29N3O6S/c1-17-5-6-18(2)21(14-17)25-9-11-26(12-10-25)24(28)19-7-8-23(22(15-19)27(29)30)34(31,32)16-20-4-3-13-33-20/h5-8,14-15,20H,3-4,9-13,16H2,1-2H3/t20-/m1/s1

InChI Key

XVMHCZHPXRZFEV-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD02936243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

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

3.326

Distribution Coefficient, logD

3.326

Water Solubility, LogSw

-3.76

Polar Surface Area

90.346

Acid Dissociation Constant (pKa)

21.01

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.83

K673-0226 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K673-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K673-0226?
Check Price and Availability of K673-0226, 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 K673-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K673-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K673-0226
  • 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 K673-0226 available by request