D044-0002 Screening compound: N~1~-(2-phenyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)propanamide

D044-0002 Screening compound: N~1~-(2-phenyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)propanamide
D044-0002 Screening compound: N~1~-(2-phenyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D044-0002
N~1~-(2-phenyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)propanamide

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

D044-0002

Molecular Formula

C19H20N4O (C19 H20 N4 O)

Compound Name

N~1~-(2-phenyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)propanamide

IUPAC name

N-{11-phenyl-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-5-yl}propanamide

SMILES

CCC(Nc(cc1)cc2c1n(CCN(C1)c3ccccc3)c1n2)=O

InChI

InChI=1S/C19H20N4O/c1-2-19(24)20-14-8-9-17-16(12-14)21-18-13-22(10-11-23(17)18)15-6-4-3-5-7-15/h3-9,12H,2,10-11,13H2,1H3,(H,20,24)

InChI Key

VFEPJPQHCBQKFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06092700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.302

Distribution Coefficient, logD

3.302

Water Solubility, LogSw

-3.53

Polar Surface Area

37.783

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with D044-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D044-0002?
Check Price and Availability of D044-0002, 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 D044-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D044-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D044-0002
  • 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 D044-0002 available by request