E002-2011 Screening compound: 4-bromo-3-methyl-N-{[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}aniline

E002-2011 Screening compound: 4-bromo-3-methyl-N-{[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}aniline
E002-2011 Screening compound: 4-bromo-3-methyl-N-{[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-2011
4-bromo-3-methyl-N-{[5-(4-methylphenyl)-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

E002-2011

Molecular Formula

C18H18BrN3 (C18 H18 BrN3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1c(CNc(cc2)cc(C)c2Br)cn[nH]1

InChI

InChI=1S/C18H18BrN3/c1-12-3-5-14(6-4-12)18-15(11-21-22-18)10-20-16-7-8-17(19)13(2)9-16/h3-9,11,20H,10H2,1-2H3,(H,21,22)

InChI Key

GJOMNCOPXQFXJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.27

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

5.157

Distribution Coefficient, logD

5.157

Water Solubility, LogSw

-4.97

Polar Surface Area

34.663

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

9.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E002-2011 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 E002-2011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-2011?
Check Price and Availability of E002-2011, 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 E002-2011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-2011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-2011
  • 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 E002-2011 available by request