D150-0066 Screening compound: N-(7,8-dihydro-6H-cyclopenta[d][1,2,4]triazolo[4,3-a]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)amine

D150-0066 Screening compound: N-(7,8-dihydro-6H-cyclopenta[d][1,2,4]triazolo[4,3-a]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)amine
D150-0066 Screening compound: N-(7,8-dihydro-6H-cyclopenta[d][1,2,4]triazolo[4,3-a]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D150-0066
N-(7,8-dihydro-6H-cyclopenta[d][1,2,4]triazolo[4,3-a]pyrimidin-5-yl)-N-(2,5-dimethylphenyl)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

D150-0066

Molecular Formula

C16H17N5 (C16 H17 N5)

Compound Name

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

IUPAC name

N-(25-dimethylphenyl)-181011-tetraazatricyclo[7.3.0.0^{37}]dodeca-27911-tetraen-2-amine

SMILES

Cc1cc(Nc2c(CCC3)c3nc3nncn23)c(C)cc1

InChI

InChI=1S/C16H17N5/c1-10-6-7-11(2)14(8-10)18-15-12-4-3-5-13(12)19-16-20-17-9-21(15)16/h6-9,18H,3-5H2,1-2H3

InChI Key

LKLSCBQTXYYJSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.336

Distribution Coefficient, logD

2.336

Water Solubility, LogSw

-2.42

Polar Surface Area

43.033

Acid Dissociation Constant (pKa)

12.21

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

D150-0066 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D150-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D150-0066?
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What is the minimum amount of D150-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D150-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D150-0066
  • 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 D150-0066 available by request