K672-0296 Screening compound: 1-(4-{[(3-bromophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-4-(pyridin-2-yl)piperazine

K672-0296 Screening compound: 1-(4-{[(3-bromophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-4-(pyridin-2-yl)piperazine
K672-0296 Screening compound: 1-(4-{[(3-bromophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound K672-0296
1-(4-{[(3-bromophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-4-(pyridin-2-yl)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

K672-0296

Molecular Formula

C23H21BrN4O3S (C23 H21 BrN4 O3 S)

Compound Name

1-(4-{[(3-bromophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-4-(pyridin-2-yl)piperazine

IUPAC name

1-(4-{[(3-bromophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-4-(pyridin-2-yl)piperazine

SMILES

[O-][N+](c(cc(cc1)C(N(CC2)CCN2c2ncccc2)=O)c1SCc1cccc(Br)c1)=O

InChI

InChI=1S/C23H21BrN4O3S/c24-19-5-3-4-17(14-19)16-32-21-8-7-18(15-20(21)28(30)31)23(29)27-12-10-26(11-13-27)22-6-1-2-9-25-22/h1-9,14-15H,10-13,16H2

InChI Key

OCVSXWFHPXHGPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.053

Distribution Coefficient, logD

5.044

Water Solubility, LogSw

-5.08

Polar Surface Area

61.467

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

K672-0296 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K672-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K672-0296?
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What is the minimum amount of K672-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K672-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K672-0296
  • 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 K672-0296 available by request