8014-2448 Screening compound: 1-(1-phenylethyl)-1H-1,3-benzodiazol-5-amine

8014-2448 Screening compound: 1-(1-phenylethyl)-1H-1,3-benzodiazol-5-amine
8014-2448 Screening compound: 1-(1-phenylethyl)-1H-1,3-benzodiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2448
1-(1-phenylethyl)-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

8014-2448

Molecular Formula

C15H15N3 (C15 H15 N3)

Compound Name

1-(1-phenylethyl)-1H-1,3-benzodiazol-5-amine

IUPAC name

1-(1-phenylethyl)-1H-13-benzodiazol-5-amine

SMILES

CC(c1ccccc1)n1c(ccc(N)c2)c2nc1

InChI

InChI=1S/C15H15N3/c1-11(12-5-3-2-4-6-12)18-10-17-14-9-13(16)7-8-15(14)18/h2-11H,16H2,1H3/t11-/m0/s1

InChI Key

KUGQTRSHOZUESN-NSHDSACASA-N

MDL Number (MFCD)

MFCD03768366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.3

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.760

Distribution Coefficient, logD

2.757

Water Solubility, LogSw

-2.96

Polar Surface Area

31.641

Acid Dissociation Constant (pKa)

20.61

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.33

8014-2448 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-2448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2448?
Check Price and Availability of 8014-2448, 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 8014-2448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2448
  • 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 8014-2448 available by request