D454-0111 Screening compound: N~1~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}-2-methylpropanamide

D454-0111 Screening compound: N~1~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}-2-methylpropanamide
D454-0111 Screening compound: N~1~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0111
N~1~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}-2-methylpropanamide

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

D454-0111

Molecular Formula

C21H24N4O (C21 H24 N4 O)

Compound Name

N~1~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}-2-methylpropanamide

IUPAC name

2-methyl-N-(2-methyl-4-{1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-11-yl}phenyl)propanamide

SMILES

CC(C)C(Nc(cc1)c(C)cc1N1Cc2nc(cccc3)c3n2CC1)=O

InChI

InChI=1S/C21H24N4O/c1-14(2)21(26)23-17-9-8-16(12-15(17)3)24-10-11-25-19-7-5-4-6-18(19)22-20(25)13-24/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,26)

InChI Key

YYDXEVOBESOBRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.45

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

3.958

Distribution Coefficient, logD

3.958

Water Solubility, LogSw

-3.92

Polar Surface Area

37.298

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D454-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0111?
Check Price and Availability of D454-0111, 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 D454-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0111
  • 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 D454-0111 available by request