D454-0485 Screening compound: N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-phenoxyacetamide

D454-0485 Screening compound: N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-phenoxyacetamide
D454-0485 Screening compound: N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0485
N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-phenoxyacetamide

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

D454-0485

Molecular Formula

C24H21ClN4O2 (C24 H21 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(COc1ccccc1)Nc(cc1)ccc1N1Cc2nc(cc(cc3)Cl)c3n2CC1

InChI

InChI=1S/C24H21ClN4O2/c25-17-6-11-22-21(14-17)27-23-15-28(12-13-29(22)23)19-9-7-18(8-10-19)26-24(30)16-31-20-4-2-1-3-5-20/h1-11,14H,12-13,15-16H2,(H,26,30)

InChI Key

PSGJARQTZJEOFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.91

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

5.002

Distribution Coefficient, logD

5.002

Water Solubility, LogSw

-5.12

Polar Surface Area

45.010

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D454-0485 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D454-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0485?
Check Price and Availability of D454-0485, 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 D454-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0485
  • 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 D454-0485 available by request