6738-0166 Screening compound: N-[(4-bromophenyl)methyl]-1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-amine

6738-0166 Screening compound: N-[(4-bromophenyl)methyl]-1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-amine
6738-0166 Screening compound: N-[(4-bromophenyl)methyl]-1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6738-0166
N-[(4-bromophenyl)methyl]-1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-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

6738-0166

Molecular Formula

C20H23BrN4O (C20 H23 BrN4 O)

Compound Name

N-[(4-bromophenyl)methyl]-1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-amine

IUPAC name

N-[(4-bromophenyl)methyl]-1-[2-(morpholin-4-yl)ethyl]-1H-13-benzodiazol-2-amine

SMILES

Brc1ccc(CNc2nc(cccc3)c3n2CCN2CCOCC2)cc1

InChI

InChI=1S/C20H23BrN4O/c21-17-7-5-16(6-8-17)15-22-20-23-18-3-1-2-4-19(18)25(20)10-9-24-11-13-26-14-12-24/h1-8H,9-15H2,(H,22,23)

InChI Key

FGJLNOIZFXEICJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04017376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.709

Distribution Coefficient, logD

3.498

Water Solubility, LogSw

-3.96

Polar Surface Area

34.179

Acid Dissociation Constant (pKa)

18.98

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

6738-0166 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6738-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6738-0166?
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What is the minimum amount of 6738-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6738-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6738-0166
  • 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 6738-0166 available by request