4318-1676 Screening compound: 5-[4-(4-METHYLBENZENESULFONYL)PIPERAZIN-1-YL]-2-NITRO-N-[(PYRIDIN-3-YL)METHYL]ANILINE

4318-1676 Screening compound: 5-[4-(4-METHYLBENZENESULFONYL)PIPERAZIN-1-YL]-2-NITRO-N-[(PYRIDIN-3-YL)METHYL]ANILINE
4318-1676 Screening compound: 5-[4-(4-METHYLBENZENESULFONYL)PIPERAZIN-1-YL]-2-NITRO-N-[(PYRIDIN-3-YL)METHYL]ANILINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4318-1676
5-[4-(4-METHYLBENZENESULFONYL)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

4318-1676

Molecular Formula

C23H25N5O4S (C23 H25 N5 O4 S)

Compound Name

5-[4-(4-METHYLBENZENESULFONYL)PIPERAZIN-1-YL]-2-NITRO-N-[(PYRIDIN-3-YL)METHYL]ANILINE

IUPAC name

n/a

SMILES

Cc(cc1)ccc1S(N(CC1)CCN1c(cc1)cc(NCc2cnccc2)c1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C23H25N5O4S/c1-18-4-7-21(8-5-18)33(31,32)27-13-11-26(12-14-27)20-6-9-23(28(29)30)22(15-20)25-17-19-3-2-10-24-16-19/h2-10,15-16,25H,11-14,17H2,1H3

InChI Key

HDTYKSOMKNWQDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02631997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.347

Distribution Coefficient, logD

3.334

Water Solubility, LogSw

-3.65

Polar Surface Area

87.345

Acid Dissociation Constant (pKa)

16.42

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

4318-1676 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4318-1676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4318-1676?
Check Price and Availability of 4318-1676, 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 4318-1676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4318-1676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4318-1676
  • 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 4318-1676 available by request