D454-0122 Screening compound: N~1~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}-1-cyclohexanecarboxamide

D454-0122 Screening compound: N~1~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}-1-cyclohexanecarboxamide
D454-0122 Screening compound: N~1~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0122
N~1~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}-1-cyclohexanecarboxamide

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

D454-0122

Molecular Formula

C24H28N4O (C24 H28 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)N2Cc3nc(cccc4)c4n3CC2)c1NC(C1CCCCC1)=O

InChI

InChI=1S/C24H28N4O/c1-17-15-19(11-12-20(17)26-24(29)18-7-3-2-4-8-18)27-13-14-28-22-10-6-5-9-21(22)25-23(28)16-27/h5-6,9-12,15,18H,2-4,7-8,13-14,16H2,1H3,(H,26,29)

InChI Key

QOKAARWCXSJCOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

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

4.721

Distribution Coefficient, logD

4.721

Water Solubility, LogSw

-4.47

Polar Surface Area

37.219

Acid Dissociation Constant (pKa)

11.66

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with D454-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0122?
Check Price and Availability of D454-0122, 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 D454-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0122
  • 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 D454-0122 available by request