D112-0085 Screening compound: 6-[4-(pyrimidin-2-yl)piperazin-1-yl]-9H-purine

D112-0085 Screening compound: 6-[4-(pyrimidin-2-yl)piperazin-1-yl]-9H-purine
D112-0085 Screening compound: 6-[4-(pyrimidin-2-yl)piperazin-1-yl]-9H-purine alternative view

Chemical Structure Depiction of ChemDiv screening compound D112-0085
6-[4-(pyrimidin-2-yl)piperazin-1-yl]-9H-purine

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

D112-0085

Molecular Formula

C13H14N8 (C13 H14 N8)

Compound Name

6-[4-(pyrimidin-2-yl)piperazin-1-yl]-9H-purine

IUPAC name

6-[4-(pyrimidin-2-yl)piperazin-1-yl]-9H-purine

SMILES

C(CN(CC1)c2ncccn2)N1c1ncnc2c1nc[nH]2

InChI

InChI=1S/C13H14N8/c1-2-14-13(15-3-1)21-6-4-20(5-7-21)12-10-11(17-8-16-10)18-9-19-12/h1-3,8-9H,4-7H2,(H,16,17,18,19)

InChI Key

HCGWOUNUNZPMMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12211083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.222

Distribution Coefficient, logD

1.219

Water Solubility, LogSw

-1.71

Polar Surface Area

67.683

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

D112-0085 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D112-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D112-0085?
Check Price and Availability of D112-0085, 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 D112-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D112-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D112-0085
  • 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 D112-0085 available by request