E002-1997 Screening compound: 4-bromo-3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]aniline

E002-1997 Screening compound: 4-bromo-3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]aniline
E002-1997 Screening compound: 4-bromo-3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-1997
4-bromo-3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]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

E002-1997

Molecular Formula

C17H16BrN3 (C17 H16 BrN3)

Compound Name

4-bromo-3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]aniline

IUPAC name

4-bromo-3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]aniline

SMILES

Cc(cc(cc1)NCc2c(-c3ccccc3)[nH]nc2)c1Br

InChI

InChI=1S/C17H16BrN3/c1-12-9-15(7-8-16(12)18)19-10-14-11-20-21-17(14)13-5-3-2-4-6-13/h2-9,11,19H,10H2,1H3,(H,20,21)

InChI Key

DIBHOSFDWIDQBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.24

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.629

Distribution Coefficient, logD

4.628

Water Solubility, LogSw

-4.28

Polar Surface Area

34.663

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

9.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

E002-1997 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E002-1997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-1997?
Check Price and Availability of E002-1997, 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 E002-1997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-1997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-1997
  • 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 E002-1997 available by request