C215-0009 Screening compound: N-[(4-bromophenyl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-amine

C215-0009 Screening compound: N-[(4-bromophenyl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-amine
C215-0009 Screening compound: N-[(4-bromophenyl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C215-0009
N-[(4-bromophenyl)methyl]-1-(propan-2-yl)-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

C215-0009

Molecular Formula

C17H18BrN3 (C17 H18 BrN3)

Compound Name

N-[(4-bromophenyl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-amine

IUPAC name

N-[(4-bromophenyl)methyl]-1-(propan-2-yl)-1H-13-benzodiazol-5-amine

SMILES

CC(C)n1c(ccc(NCc(cc2)ccc2Br)c2)c2nc1

InChI

InChI=1S/C17H18BrN3/c1-12(2)21-11-20-16-9-15(7-8-17(16)21)19-10-13-3-5-14(18)6-4-13/h3-9,11-12,19H,10H2,1-2H3

InChI Key

IMGXUTQGBNBBIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14732471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.25

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.412

Distribution Coefficient, logD

4.399

Water Solubility, LogSw

-4.32

Polar Surface Area

21.721

Acid Dissociation Constant (pKa)

19.15

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C215-0009 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C215-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C215-0009?
Check Price and Availability of C215-0009, 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 C215-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C215-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C215-0009
  • 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 C215-0009 available by request