8020-2124 Screening compound: 2-[(2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-8,9-dihydro-7H-cyclopenta[e][1,2,4]triazolo[1,5-c]pyrimidine

8020-2124 Screening compound: 2-[(2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-8,9-dihydro-7H-cyclopenta[e][1,2,4]triazolo[1,5-c]pyrimidine
8020-2124 Screening compound: 2-[(2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-8,9-dihydro-7H-cyclopenta[e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2124
2-[(2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-8,9-dihydro-7H-cyclopenta[e][1,2,4]triazolo[1,5-c]pyrimidine

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

8020-2124

Molecular Formula

C20H22N4O (C20 H22 N4 O)

Compound Name

2-[(2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl]-8,9-dihydro-7H-cyclopenta[e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

4-[(22-dimethyl-34-dihydro-2H-1-benzopyran-6-yl)methyl]-3568-tetraazatricyclo[7.3.0.0^{26}]dodeca-1(9)247-tetraene

SMILES

CC(C)(CC1)Oc2c1cc(Cc1nn(cnc3c4CCC3)c4n1)cc2

InChI

InChI=1S/C20H22N4O/c1-20(2)9-8-14-10-13(6-7-17(14)25-20)11-18-22-19-15-4-3-5-16(15)21-12-24(19)23-18/h6-7,10,12H,3-5,8-9,11H2,1-2H3

InChI Key

CPDZTSUSEHGUJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12207911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.233

Distribution Coefficient, logD

3.228

Water Solubility, LogSw

-3.28

Polar Surface Area

41.413

Acid Dissociation Constant (pKa)

19.32

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

8020-2124 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-2124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2124?
Check Price and Availability of 8020-2124, 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 8020-2124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2124
  • 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 8020-2124 available by request