4181-2567 Screening compound: 2-methyl-1,4-bis[4-(propan-2-yl)benzenesulfonyl]piperazine

4181-2567 Screening compound: 2-methyl-1,4-bis[4-(propan-2-yl)benzenesulfonyl]piperazine
4181-2567 Screening compound: 2-methyl-1,4-bis[4-(propan-2-yl)benzenesulfonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4181-2567
2-methyl-1,4-bis[4-(propan-2-yl)benzenesulfonyl]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

4181-2567

Molecular Formula

C23H32N2O4S2 (C23 H32 N2 O4 S2)

Compound Name

2-methyl-1,4-bis[4-(propan-2-yl)benzenesulfonyl]piperazine

IUPAC name

2-methyl-14-bis[4-(propan-2-yl)benzenesulfonyl]piperazine

SMILES

CC(C)c(cc1)ccc1S(N(CC1)CC(C)N1S(c1ccc(C(C)C)cc1)(=O)=O)(=O)=O

InChI

InChI=1S/C23H32N2O4S2/c1-17(2)20-6-10-22(11-7-20)30(26,27)24-14-15-25(19(5)16-24)31(28,29)23-12-8-21(9-13-23)18(3)4/h6-13,17-19H,14-16H2,1-5H3/t19-/m0/s1

InChI Key

DQIVPQGECINPCD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02658407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.409

Distribution Coefficient, logD

5.409

Water Solubility, LogSw

-5.51

Polar Surface Area

63.463

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-6.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

4181-2567 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4181-2567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4181-2567?
Check Price and Availability of 4181-2567, 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 4181-2567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4181-2567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4181-2567
  • 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 4181-2567 available by request