3701-0246 Screening compound: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-methoxybenzoyl)piperazine

3701-0246 Screening compound: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-methoxybenzoyl)piperazine
3701-0246 Screening compound: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-methoxybenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3701-0246
1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-methoxybenzoyl)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

3701-0246

Molecular Formula

C20H23BrN2O3 (C20 H23 BrN2 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1C(N1CCN(Cc(cc2)cc(Br)c2OC)CC1)=O

InChI

InChI=1S/C20H23BrN2O3/c1-25-17-6-4-16(5-7-17)20(24)23-11-9-22(10-12-23)14-15-3-8-19(26-2)18(21)13-15/h3-8,13H,9-12,14H2,1-2H3

InChI Key

CESZDPKFXWMQKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02052932

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

419.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.887

Distribution Coefficient, logD

2.878

Water Solubility, LogSw

-3.18

Polar Surface Area

35.601

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

3701-0246 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with 3701-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3701-0246?
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What is the minimum amount of 3701-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3701-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3701-0246
  • 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 3701-0246 available by request