3701-0298 Screening compound: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-chlorobenzenesulfonyl)piperazine

3701-0298 Screening compound: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-chlorobenzenesulfonyl)piperazine
3701-0298 Screening compound: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-chlorobenzenesulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3701-0298
1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-chlorobenzenesulfonyl)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

3701-0298

Molecular Formula

C18H20BrClN2O3S (C18 H20 BrClN2 O3 S)

Compound Name

1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-chlorobenzenesulfonyl)piperazine

IUPAC name

1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-chlorobenzenesulfonyl)piperazine

SMILES

COc(ccc(CN(CC1)CCN1S(c(cc1)ccc1Cl)(=O)=O)c1)c1Br

InChI

InChI=1S/C18H20BrClN2O3S/c1-25-18-7-2-14(12-17(18)19)13-21-8-10-22(11-9-21)26(23,24)16-5-3-15(20)4-6-16/h2-7,12H,8-11,13H2,1H3

InChI Key

QGQZFYLFBJFWDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02107966

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

459.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.770

Distribution Coefficient, logD

3.767

Water Solubility, LogSw

-4.29

Polar Surface Area

43.120

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3701-0298 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3701-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3701-0298?
Check Price and Availability of 3701-0298, 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 3701-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3701-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3701-0298
  • 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 3701-0298 available by request