D073-0001 Screening compound: 8-nitro-2-(tetrahydro-2-furanylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole

D073-0001 Screening compound: 8-nitro-2-(tetrahydro-2-furanylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole
D073-0001 Screening compound: 8-nitro-2-(tetrahydro-2-furanylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D073-0001
8-nitro-2-(tetrahydro-2-furanylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole

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

D073-0001

Molecular Formula

C15H18N4O3 (C15 H18 N4 O3)

Compound Name

8-nitro-2-(tetrahydro-2-furanylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazole

IUPAC name

5-nitro-11-[(oxolan-2-yl)methyl]-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraene

SMILES

[O-][N+](c(cc1)cc2c1n(CCN(CC1OCCC1)C1)c1n2)=O

InChI

InChI=1S/C15H18N4O3/c20-19(21)11-3-4-14-13(8-11)16-15-10-17(5-6-18(14)15)9-12-2-1-7-22-12/h3-4,8,12H,1-2,5-7,9-10H2/t12-/m1/s1

InChI Key

PHPVAMBUKIDZHF-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD06002571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.707

Distribution Coefficient, logD

1.707

Water Solubility, LogSw

-2.06

Polar Surface Area

56.949

Acid Dissociation Constant (pKa)

23.85

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

D073-0001 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

DGK Inhibitors Library (10558 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D073-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D073-0001?
Check Price and Availability of D073-0001, 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 D073-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D073-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D073-0001
  • 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 D073-0001 available by request