D454-0486 Screening compound: N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-(2-methylphenoxy)acetamide

D454-0486 Screening compound: N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-(2-methylphenoxy)acetamide
D454-0486 Screening compound: N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-(2-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0486
N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-(2-methylphenoxy)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

D454-0486

Molecular Formula

C25H23ClN4O2 (C25 H23 ClN4 O2)

Compound Name

N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-(2-methylphenoxy)acetamide

IUPAC name

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

SMILES

Cc(cccc1)c1OCC(Nc(cc1)ccc1N1Cc2nc(cc(cc3)Cl)c3n2CC1)=O

InChI

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

InChI Key

VDLYKMOZGARYJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587125

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

5.505

Distribution Coefficient, logD

5.505

Water Solubility, LogSw

-5.80

Polar Surface Area

45.097

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D454-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0486?
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What is the minimum amount of D454-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0486
  • 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 D454-0486 available by request