3610-1197 Screening compound: 1-(4-chloro-2-nitrophenyl)-4-(4-methylbenzenesulfonyl)piperazine

3610-1197 Screening compound: 1-(4-chloro-2-nitrophenyl)-4-(4-methylbenzenesulfonyl)piperazine
3610-1197 Screening compound: 1-(4-chloro-2-nitrophenyl)-4-(4-methylbenzenesulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3610-1197
1-(4-chloro-2-nitrophenyl)-4-(4-methylbenzenesulfonyl)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

3610-1197

Molecular Formula

C17H18ClN3O4S (C17 H18 ClN3 O4 S)

Compound Name

1-(4-chloro-2-nitrophenyl)-4-(4-methylbenzenesulfonyl)piperazine

IUPAC name

1-(4-chloro-2-nitrophenyl)-4-(4-methylbenzenesulfonyl)piperazine

SMILES

Cc(cc1)ccc1S(N(CC1)CCN1c(ccc(Cl)c1)c1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C17H18ClN3O4S/c1-13-2-5-15(6-3-13)26(24,25)20-10-8-19(9-11-20)16-7-4-14(18)12-17(16)21(22)23/h2-7,12H,8-11H2,1H3

InChI Key

UFTQQWXMILMEMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02222222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.946

Distribution Coefficient, logD

3.946

Water Solubility, LogSw

-4.27

Polar Surface Area

67.989

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

3610-1197 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3610-1197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3610-1197?
Check Price and Availability of 3610-1197, 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 3610-1197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3610-1197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3610-1197
  • 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 3610-1197 available by request