4240-0896 Screening compound: 1-(4-methylcyclohexyl)-4-[(2-nitrophenyl)sulfonyl]piperazine

4240-0896 Screening compound: 1-(4-methylcyclohexyl)-4-[(2-nitrophenyl)sulfonyl]piperazine
4240-0896 Screening compound: 1-(4-methylcyclohexyl)-4-[(2-nitrophenyl)sulfonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4240-0896
1-(4-methylcyclohexyl)-4-[(2-nitrophenyl)sulfonyl]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

4240-0896

Molecular Formula

C17H25N3O4S (C17 H25 N3 O4 S)

Compound Name

1-(4-methylcyclohexyl)-4-[(2-nitrophenyl)sulfonyl]piperazine

IUPAC name

1-(4-methylcyclohexyl)-4-(2-nitrobenzenesulfonyl)piperazine

SMILES

CC(CC1)CCC1N(CC1)CCN1S(c(cccc1)c1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C17H25N3O4S/c1-14-6-8-15(9-7-14)18-10-12-19(13-11-18)25(23,24)17-5-3-2-4-16(17)20(21)22/h2-5,14-15H,6-13H2,1H3

InChI Key

PPNHUEKPWFIUDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02816767

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

367.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.230

Distribution Coefficient, logD

3.201

Water Solubility, LogSw

-3.73

Polar Surface Area

68.123

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.71

4240-0896 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 4240-0896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4240-0896?
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What is the minimum amount of 4240-0896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4240-0896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4240-0896
  • 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 4240-0896 available by request