D389-0861 Screening compound: 2-{9-cyclohexyl-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl}acetamide

D389-0861 Screening compound: 2-{9-cyclohexyl-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl}acetamide
D389-0861 Screening compound: 2-{9-cyclohexyl-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D389-0861
2-{9-cyclohexyl-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl}acetamide

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

D389-0861

Molecular Formula

C17H24N6O3 (C17 H24 N6 O3)

Compound Name

2-{9-cyclohexyl-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl}acetamide

IUPAC name

2-{9-cyclohexyl-1-methyl-24-dioxo-1H2H3H4H6H7H8H9H-pyrimido[12-g]purin-3-yl}acetamide

SMILES

CN(c1c(C(N2CC(N)=O)=O)n(CCCN3C4CCCCC4)c3n1)C2=O

InChI

InChI=1S/C17H24N6O3/c1-20-14-13(15(25)23(17(20)26)10-12(18)24)22-9-5-8-21(16(22)19-14)11-6-3-2-4-7-11/h11H,2-10H2,1H3,(H2,18,24)

InChI Key

SZNWIPFWMMBUIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05688518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.142

Distribution Coefficient, logD

1.142

Water Solubility, LogSw

-1.41

Polar Surface Area

78.275

Acid Dissociation Constant (pKa)

15.97

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

D389-0861 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D389-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0861?
Check Price and Availability of D389-0861, 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 D389-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0861
  • 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 D389-0861 available by request