6021-2543 Screening compound: 5-[4-(4-methylbenzoyl)piperazin-1-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline

6021-2543 Screening compound: 5-[4-(4-methylbenzoyl)piperazin-1-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline
6021-2543 Screening compound: 5-[4-(4-methylbenzoyl)piperazin-1-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6021-2543
5-[4-(4-methylbenzoyl)piperazin-1-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline

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

6021-2543

Molecular Formula

C24H25N5O3 (C24 H25 N5 O3)

Compound Name

5-[4-(4-methylbenzoyl)piperazin-1-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline

IUPAC name

5-[4-(4-methylbenzoyl)piperazin-1-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline

SMILES

Cc(cc1)ccc1C(N(CC1)CCN1c(cc1)cc(NCc2cnccc2)c1[N+]([O-])=O)=O

InChI

InChI=1S/C24H25N5O3/c1-18-4-6-20(7-5-18)24(30)28-13-11-27(12-14-28)21-8-9-23(29(31)32)22(15-21)26-17-19-3-2-10-25-16-19/h2-10,15-16,26H,11-14,17H2,1H3

InChI Key

JCYSKWDKOFDAPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03688042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.075

Distribution Coefficient, logD

3.062

Water Solubility, LogSw

-3.17

Polar Surface Area

72.282

Acid Dissociation Constant (pKa)

16.42

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6021-2543 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6021-2543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6021-2543?
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What is the minimum amount of 6021-2543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6021-2543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6021-2543
  • 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 6021-2543 available by request