6738-0123 Screening compound: N-[(4-bromophenyl)methyl]-1-[2-(diethylamino)ethyl]-1H-1,3-benzodiazol-2-amine

6738-0123 Screening compound: N-[(4-bromophenyl)methyl]-1-[2-(diethylamino)ethyl]-1H-1,3-benzodiazol-2-amine
6738-0123 Screening compound: N-[(4-bromophenyl)methyl]-1-[2-(diethylamino)ethyl]-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6738-0123
N-[(4-bromophenyl)methyl]-1-[2-(diethylamino)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

6738-0123

Molecular Formula

C20H25BrN4 (C20 H25 BrN4)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)CCn1c(NCc(cc2)ccc2Br)nc2c1cccc2

InChI

InChI=1S/C20H25BrN4/c1-3-24(4-2)13-14-25-19-8-6-5-7-18(19)23-20(25)22-15-16-9-11-17(21)12-10-16/h5-12H,3-4,13-15H2,1-2H3,(H,22,23)

InChI Key

JJXUHYARRWAZMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04029620

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

401.35

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.853

Distribution Coefficient, logD

2.493

Water Solubility, LogSw

-4.48

Polar Surface Area

25.970

Acid Dissociation Constant (pKa)

18.98

Base Dissociation Constant (pKb)

9.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

6738-0123 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6738-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6738-0123?
Check Price and Availability of 6738-0123, 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 6738-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6738-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6738-0123
  • 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 6738-0123 available by request