4964-3576 Screening compound: 4-bromo-2-[(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)methyl]phenol

4964-3576 Screening compound: 4-bromo-2-[(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)methyl]phenol
4964-3576 Screening compound: 4-bromo-2-[(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-3576
4-bromo-2-[(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)methyl]phenol

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

4964-3576

Molecular Formula

C19H23BrN2OS (C19 H23 BrN2 OS)

Compound Name

4-bromo-2-[(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)methyl]phenol

IUPAC name

4-bromo-2-[(4-{[4-(methylsulfanyl)phenyl]methyl}piperazin-1-yl)methyl]phenol

SMILES

CSc1ccc(CN2CCN(Cc(cc(cc3)Br)c3O)CC2)cc1

InChI

InChI=1S/C19H23BrN2OS/c1-24-18-5-2-15(3-6-18)13-21-8-10-22(11-9-21)14-16-12-17(20)4-7-19(16)23/h2-7,12,23H,8-11,13-14H2,1H3

InChI Key

VHLJHCKYFUWCHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02216121

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

407.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.031

Distribution Coefficient, logD

3.922

Water Solubility, LogSw

-3.61

Polar Surface Area

24.060

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

4964-3576 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4964-3576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-3576?
Check Price and Availability of 4964-3576, 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 4964-3576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-3576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-3576
  • 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 4964-3576 available by request