6383-0921 Screening compound: N-{[4-(diethylamino)phenyl]methyl}-1-(propan-2-yl)-1H-1,3-benzodiazol-2-amine

6383-0921 Screening compound: N-{[4-(diethylamino)phenyl]methyl}-1-(propan-2-yl)-1H-1,3-benzodiazol-2-amine
6383-0921 Screening compound: N-{[4-(diethylamino)phenyl]methyl}-1-(propan-2-yl)-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6383-0921
N-{[4-(diethylamino)phenyl]methyl}-1-(propan-2-yl)-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

6383-0921

Molecular Formula

C21H28N4 (C21 H28 N4)

Compound Name

N-{[4-(diethylamino)phenyl]methyl}-1-(propan-2-yl)-1H-1,3-benzodiazol-2-amine

IUPAC name

N-{[4-(diethylamino)phenyl]methyl}-1-(propan-2-yl)-1H-13-benzodiazol-2-amine

SMILES

CCN(CC)c1ccc(CNc2nc(cccc3)c3n2C(C)C)cc1

InChI

InChI=1S/C21H28N4/c1-5-24(6-2)18-13-11-17(12-14-18)15-22-21-23-19-9-7-8-10-20(19)25(21)16(3)4/h7-14,16H,5-6,15H2,1-4H3,(H,22,23)

InChI Key

OIPUPAUENHDVRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05625863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.48

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.736

Distribution Coefficient, logD

4.431

Water Solubility, LogSw

-4.39

Polar Surface Area

26.392

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

9.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

6383-0921 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Nucleic Acid Ligands (8311 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with 6383-0921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6383-0921?
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What is the minimum amount of 6383-0921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6383-0921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6383-0921
  • 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 6383-0921 available by request