4964-3088 Screening compound: 4-({4-[(2-chlorophenyl)methyl]piperazin-1-yl}methyl)-2,6-dimethoxyphenol

4964-3088 Screening compound: 4-({4-[(2-chlorophenyl)methyl]piperazin-1-yl}methyl)-2,6-dimethoxyphenol
4964-3088 Screening compound: 4-({4-[(2-chlorophenyl)methyl]piperazin-1-yl}methyl)-2,6-dimethoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-3088
4-({4-[(2-chlorophenyl)methyl]piperazin-1-yl}methyl)-2,6-dimethoxyphenol

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

4964-3088

Molecular Formula

C20H25ClN2O3 (C20 H25 ClN2 O3)

Compound Name

4-({4-[(2-chlorophenyl)methyl]piperazin-1-yl}methyl)-2,6-dimethoxyphenol

IUPAC name

4-({4-[(2-chlorophenyl)methyl]piperazin-1-yl}methyl)-26-dimethoxyphenol

SMILES

COc1cc(CN2CCN(Cc(cccc3)c3Cl)CC2)cc(OC)c1O

InChI

InChI=1S/C20H25ClN2O3/c1-25-18-11-15(12-19(26-2)20(18)24)13-22-7-9-23(10-8-22)14-16-5-3-4-6-17(16)21/h3-6,11-12,24H,7-10,13-14H2,1-2H3

InChI Key

QTJSHIFCOYFGBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03245572

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

376.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.546

Distribution Coefficient, logD

0.175

Water Solubility, LogSw

-2.76

Polar Surface Area

38.251

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

10.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

4964-3088 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with 4964-3088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-3088?
Check Price and Availability of 4964-3088, 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 4964-3088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-3088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-3088
  • 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 4964-3088 available by request