D454-0191 Screening compound: 2-(4-chlorophenoxy)-N~1~-{5-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}acetamide

D454-0191 Screening compound: 2-(4-chlorophenoxy)-N~1~-{5-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}acetamide
D454-0191 Screening compound: 2-(4-chlorophenoxy)-N~1~-{5-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0191
2-(4-chlorophenoxy)-N~1~-{5-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}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

D454-0191

Molecular Formula

C25H23ClN4O2 (C25 H23 ClN4 O2)

Compound Name

2-(4-chlorophenoxy)-N~1~-{5-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}acetamide

IUPAC name

2-(4-chlorophenoxy)-N-(2-methyl-5-{1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-11-yl}phenyl)acetamide

SMILES

Cc(ccc(N1Cc2nc(cccc3)c3n2CC1)c1)c1NC(COc(cc1)ccc1Cl)=O

InChI

InChI=1S/C25H23ClN4O2/c1-17-6-9-19(14-22(17)28-25(31)16-32-20-10-7-18(26)8-11-20)29-12-13-30-23-5-3-2-4-21(23)27-24(30)15-29/h2-11,14H,12-13,15-16H2,1H3,(H,28,31)

InChI Key

SWPSXPIAWFTNER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.768

Distribution Coefficient, logD

4.768

Water Solubility, LogSw

-4.76

Polar Surface Area

44.313

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D454-0191 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D454-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0191?
Check Price and Availability of D454-0191, 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 D454-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0191
  • 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 D454-0191 available by request