4587-0369 Screening compound: N,N-dimethyl-4-(1-propyl-1H-1,3-benzodiazol-2-yl)aniline

4587-0369 Screening compound: N,N-dimethyl-4-(1-propyl-1H-1,3-benzodiazol-2-yl)aniline
4587-0369 Screening compound: N,N-dimethyl-4-(1-propyl-1H-1,3-benzodiazol-2-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4587-0369
N,N-dimethyl-4-(1-propyl-1H-1,3-benzodiazol-2-yl)aniline

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

4587-0369

Molecular Formula

C18H21N3 (C18 H21 N3)

Compound Name

N,N-dimethyl-4-(1-propyl-1H-1,3-benzodiazol-2-yl)aniline

IUPAC name

NN-dimethyl-4-(1-propyl-1H-13-benzodiazol-2-yl)aniline

SMILES

CCCn1c(-c(cc2)ccc2N(C)C)nc2c1cccc2

InChI

InChI=1S/C18H21N3/c1-4-13-21-17-8-6-5-7-16(17)19-18(21)14-9-11-15(12-10-14)20(2)3/h5-12H,4,13H2,1-3H3

InChI Key

DBJLWJSXLLHVAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02630724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.38

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.826

Distribution Coefficient, logD

4.825

Water Solubility, LogSw

-4.58

Polar Surface Area

12.950

Acid Dissociation Constant (pKa)

23.49

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

4587-0369 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4587-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4587-0369?
Check Price and Availability of 4587-0369, 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 4587-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4587-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4587-0369
  • 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 4587-0369 available by request