C612-0829 Screening compound: 4-bromo-N-({2,8-dimethylimidazo[1,2-a]pyridin-3-yl}(phenyl)methyl)-2-fluoroaniline

C612-0829 Screening compound: 4-bromo-N-({2,8-dimethylimidazo[1,2-a]pyridin-3-yl}(phenyl)methyl)-2-fluoroaniline
C612-0829 Screening compound: 4-bromo-N-({2,8-dimethylimidazo[1,2-a]pyridin-3-yl}(phenyl)methyl)-2-fluoroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-0829
4-bromo-N-({2,8-dimethylimidazo[1,2-a]pyridin-3-yl}(phenyl)methyl)-2-fluoroaniline

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

C612-0829

Molecular Formula

C22H19BrFN3 (C22 H19 BrFN3)

Compound Name

4-bromo-N-({2,8-dimethylimidazo[1,2-a]pyridin-3-yl}(phenyl)methyl)-2-fluoroaniline

IUPAC name

4-bromo-N-({28-dimethylimidazo[12-a]pyridin-3-yl}(phenyl)methyl)-2-fluoroaniline

SMILES

Cc1c(C(c2ccccc2)Nc(ccc(Br)c2)c2F)n(cccc2C)c2n1

InChI

InChI=1S/C22H19BrFN3/c1-14-7-6-12-27-21(15(2)25-22(14)27)20(16-8-4-3-5-9-16)26-19-11-10-17(23)13-18(19)24/h3-13,20,26H,1-2H3/t20-/m1/s1

InChI Key

MFQWRVUDSQAZMC-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14775784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.32

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

6.094

Distribution Coefficient, logD

6.039

Water Solubility, LogSw

-5.71

Polar Surface Area

17.366

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

C612-0829 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C612-0829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0829?
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What is the minimum amount of C612-0829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0829
  • 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 C612-0829 available by request