C301-9530 Screening compound: N-[2-(4-chlorobenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]-N-(3-chlorophenyl)amine

C301-9530 Screening compound: N-[2-(4-chlorobenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]-N-(3-chlorophenyl)amine
C301-9530 Screening compound: N-[2-(4-chlorobenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]-N-(3-chlorophenyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9530
N-[2-(4-chlorobenzyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl]-N-(3-chlorophenyl)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

C301-9530

Molecular Formula

C21H17Cl2N5 (C21 H17 Cl2 N5)

Compound Name

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

IUPAC name

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

SMILES

Clc1ccc(Cc2nn3c(Nc4cccc(Cl)c4)c(CCC4)c4nc3n2)cc1

InChI

InChI=1S/C21H17Cl2N5/c22-14-9-7-13(8-10-14)11-19-26-21-25-18-6-2-5-17(18)20(28(21)27-19)24-16-4-1-3-15(23)12-16/h1,3-4,7-10,12,24H,2,5-6,11H2

InChI Key

FPYBCNVZHIBTQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.31

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

5.603

Distribution Coefficient, logD

5.603

Water Solubility, LogSw

-6.01

Polar Surface Area

43.249

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C301-9530 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C301-9530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9530?
Check Price and Availability of C301-9530, 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 C301-9530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9530
  • 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 C301-9530 available by request