3666-3144 Screening compound: 1,4-bis(2,5-dimethylbenzenesulfonyl)-2-methylpiperazine

3666-3144 Screening compound: 1,4-bis(2,5-dimethylbenzenesulfonyl)-2-methylpiperazine
3666-3144 Screening compound: 1,4-bis(2,5-dimethylbenzenesulfonyl)-2-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3666-3144
1,4-bis(2,5-dimethylbenzenesulfonyl)-2-methylpiperazine

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

3666-3144

Molecular Formula

C21H28N2O4S2 (C21 H28 N2 O4 S2)

Compound Name

1,4-bis(2,5-dimethylbenzenesulfonyl)-2-methylpiperazine

IUPAC name

14-bis(25-dimethylbenzenesulfonyl)-2-methylpiperazine

SMILES

CC(CN(CC1)S(c2c(C)ccc(C)c2)(=O)=O)N1S(c1c(C)ccc(C)c1)(=O)=O

InChI

InChI=1S/C21H28N2O4S2/c1-15-6-8-17(3)20(12-15)28(24,25)22-10-11-23(19(5)14-22)29(26,27)21-13-16(2)7-9-18(21)4/h6-9,12-13,19H,10-11,14H2,1-5H3/t19-/m0/s1

InChI Key

VVFNYBXMVWVGLF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02173370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.285

Distribution Coefficient, logD

4.285

Water Solubility, LogSw

-4.17

Polar Surface Area

63.463

Acid Dissociation Constant (pKa)

26.05

Base Dissociation Constant (pKb)

-6.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

3666-3144 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3666-3144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3666-3144?
Check Price and Availability of 3666-3144, 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 3666-3144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3666-3144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3666-3144
  • 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 3666-3144 available by request