3701-0479 Screening compound: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine

3701-0479 Screening compound: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
3701-0479 Screening compound: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3701-0479
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]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

3701-0479

Molecular Formula

C23H31BrN2O5 (C23 H31 BrN2 O5)

Compound Name

1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine

IUPAC name

1-[(2-bromo-45-dimethoxyphenyl)methyl]-4-[(245-trimethoxyphenyl)methyl]piperazine

SMILES

COc(cc1OC)c(CN2CCN(Cc(cc(c(OC)c3)OC)c3Br)CC2)cc1OC

InChI

InChI=1S/C23H31BrN2O5/c1-27-19-13-23(31-5)21(29-3)11-17(19)15-26-8-6-25(7-9-26)14-16-10-20(28-2)22(30-4)12-18(16)24/h10-13H,6-9,14-15H2,1-5H3

InChI Key

DFLSQPDAYAFAGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02052915

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

495.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.010

Distribution Coefficient, logD

2.017

Water Solubility, LogSw

-2.94

Polar Surface Area

45.664

Acid Dissociation Constant (pKa)

28.48

Base Dissociation Constant (pKb)

8.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

3701-0479 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 3701-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3701-0479?
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What is the minimum amount of 3701-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3701-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3701-0479
  • 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 3701-0479 available by request