2781-0384 Screening compound: N-[(4-bromophenyl)methyl]-1-(4-methoxyphenyl)-1H-1,3-benzodiazol-5-amine

2781-0384 Screening compound: N-[(4-bromophenyl)methyl]-1-(4-methoxyphenyl)-1H-1,3-benzodiazol-5-amine
2781-0384 Screening compound: N-[(4-bromophenyl)methyl]-1-(4-methoxyphenyl)-1H-1,3-benzodiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2781-0384
N-[(4-bromophenyl)methyl]-1-(4-methoxyphenyl)-1H-1,3-benzodiazol-5-amine

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

2781-0384

Molecular Formula

C21H18BrN3O (C21 H18 BrN3 O)

Compound Name

N-[(4-bromophenyl)methyl]-1-(4-methoxyphenyl)-1H-1,3-benzodiazol-5-amine

IUPAC name

N-[(4-bromophenyl)methyl]-1-(4-methoxyphenyl)-1H-13-benzodiazol-5-amine

SMILES

COc(cc1)ccc1-n1c(ccc(NCc(cc2)ccc2Br)c2)c2nc1

InChI

InChI=1S/C21H18BrN3O/c1-26-19-9-7-18(8-10-19)25-14-24-20-12-17(6-11-21(20)25)23-13-15-2-4-16(22)5-3-15/h2-12,14,23H,13H2,1H3

InChI Key

JFIVTZMAXDALFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02048322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.052

Distribution Coefficient, logD

4.794

Water Solubility, LogSw

-4.79

Polar Surface Area

28.661

Acid Dissociation Constant (pKa)

18.43

Base Dissociation Constant (pKb)

7.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

2781-0384 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Autophagy-Targeted Library (4564 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2781-0384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2781-0384?
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What is the minimum amount of 2781-0384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2781-0384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2781-0384
  • 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 2781-0384 available by request