C301-9527 Screening compound: N-(4-bromo-3-methylphenyl)-N-[2-(4-chlorobenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]amine

C301-9527 Screening compound: N-(4-bromo-3-methylphenyl)-N-[2-(4-chlorobenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]amine
C301-9527 Screening compound: N-(4-bromo-3-methylphenyl)-N-[2-(4-chlorobenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9527
N-(4-bromo-3-methylphenyl)-N-[2-(4-chlorobenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]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

C301-9527

Molecular Formula

C22H19BrClN5 (C22 H19 BrClN5)

Compound Name

N-(4-bromo-3-methylphenyl)-N-[2-(4-chlorobenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]amine

IUPAC name

N-(4-bromo-3-methylphenyl)-11-[(4-chlorophenyl)methyl]-181012-tetraazatricyclo[7.3.0.0^{37}]dodeca-27911-tetraen-2-amine

SMILES

Cc(cc(cc1)Nc2c(CCC3)c3nc3nc(Cc(cc4)ccc4Cl)nn23)c1Br

InChI

InChI=1S/C22H19BrClN5/c1-13-11-16(9-10-18(13)23)25-21-17-3-2-4-19(17)26-22-27-20(28-29(21)22)12-14-5-7-15(24)8-6-14/h5-11,25H,2-4,12H2,1H3

InChI Key

RCSHFJDBKDICIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.78

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.024

Distribution Coefficient, logD

6.024

Water Solubility, LogSw

-6.19

Polar Surface Area

43.249

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with C301-9527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9527?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9527
  • 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 C301-9527 available by request