C325-0414 Screening compound: 4-bromo-2-{3-[(2-ethyl-6-methylphenyl)amino]imidazo[1,2-a]pyrimidin-2-yl}phenol

C325-0414 Screening compound: 4-bromo-2-{3-[(2-ethyl-6-methylphenyl)amino]imidazo[1,2-a]pyrimidin-2-yl}phenol
C325-0414 Screening compound: 4-bromo-2-{3-[(2-ethyl-6-methylphenyl)amino]imidazo[1,2-a]pyrimidin-2-yl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound C325-0414
4-bromo-2-{3-[(2-ethyl-6-methylphenyl)amino]imidazo[1,2-a]pyrimidin-2-yl}phenol

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

C325-0414

Molecular Formula

C21H19BrN4O (C21 H19 BrN4 O)

Compound Name

4-bromo-2-{3-[(2-ethyl-6-methylphenyl)amino]imidazo[1,2-a]pyrimidin-2-yl}phenol

IUPAC name

4-bromo-2-{3-[(2-ethyl-6-methylphenyl)amino]imidazo[12-a]pyrimidin-2-yl}phenol

SMILES

CCc(cccc1C)c1Nc1c(-c(cc(cc2)Br)c2O)nc2ncccn12

InChI

InChI=1S/C21H19BrN4O/c1-3-14-7-4-6-13(2)18(14)24-20-19(16-12-15(22)8-9-17(16)27)25-21-23-10-5-11-26(20)21/h4-12,24,27H,3H2,1-2H3

InChI Key

QERNNWOGZTZQIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08682915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.244

Distribution Coefficient, logD

5.220

Water Solubility, LogSw

-4.99

Polar Surface Area

43.307

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C325-0414 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C325-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C325-0414?
Check Price and Availability of C325-0414, 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 C325-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C325-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C325-0414
  • 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 C325-0414 available by request