3701-0376 Screening compound: 1-[(4-bromophenyl)methyl]-4-(4-methoxybenzenesulfonyl)piperazine

3701-0376 Screening compound: 1-[(4-bromophenyl)methyl]-4-(4-methoxybenzenesulfonyl)piperazine
3701-0376 Screening compound: 1-[(4-bromophenyl)methyl]-4-(4-methoxybenzenesulfonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3701-0376
1-[(4-bromophenyl)methyl]-4-(4-methoxybenzenesulfonyl)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

3701-0376

Molecular Formula

C18H21BrN2O3S (C18 H21 BrN2 O3 S)

Compound Name

1-[(4-bromophenyl)methyl]-4-(4-methoxybenzenesulfonyl)piperazine

IUPAC name

1-[(4-bromophenyl)methyl]-4-(4-methoxybenzenesulfonyl)piperazine

SMILES

COc(cc1)ccc1S(N1CCN(Cc(cc2)ccc2Br)CC1)(=O)=O

InChI

InChI=1S/C18H21BrN2O3S/c1-24-17-6-8-18(9-7-17)25(22,23)21-12-10-20(11-13-21)14-15-2-4-16(19)5-3-15/h2-9H,10-14H2,1H3

InChI Key

HROQWAQQGPHDHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02107814

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

425.35

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

3.506

Distribution Coefficient, logD

3.504

Water Solubility, LogSw

-3.67

Polar Surface Area

43.034

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3701-0376 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 3701-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3701-0376?
Check Price and Availability of 3701-0376, 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 3701-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3701-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3701-0376
  • 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 3701-0376 available by request