C301-9528 Screening compound: N-[2-(4-chlorobenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]-N-(3-chloro-4-methoxyphenyl)amine

C301-9528 Screening compound: N-[2-(4-chlorobenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]-N-(3-chloro-4-methoxyphenyl)amine
C301-9528 Screening compound: N-[2-(4-chlorobenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]-N-(3-chloro-4-methoxyphenyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9528
N-[2-(4-chlorobenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]-N-(3-chloro-4-methoxyphenyl)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

C301-9528

Molecular Formula

C22H19Cl2N5O (C22 H19 Cl2 N5 O)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(Nc1c(CCC2)c2nc2nc(Cc(cc3)ccc3Cl)nn12)c1)c1Cl

InChI

InChI=1S/C22H19Cl2N5O/c1-30-19-10-9-15(12-17(19)24)25-21-16-3-2-4-18(16)26-22-27-20(28-29(21)22)11-13-5-7-14(23)8-6-13/h5-10,12,25H,2-4,11H2,1H3

InChI Key

AOBNOIWNJRFOAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.361

Distribution Coefficient, logD

5.360

Water Solubility, LogSw

-5.94

Polar Surface Area

50.880

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C301-9528 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C301-9528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9528?
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What is the minimum amount of C301-9528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9528
  • 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 C301-9528 available by request