D454-0100 Screening compound: N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-piperidinoacetamide

D454-0100 Screening compound: N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-piperidinoacetamide
D454-0100 Screening compound: N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-piperidinoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0100
N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-piperidinoacetamide

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

D454-0100

Molecular Formula

C23H27N5O (C23 H27 N5 O)

Compound Name

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

IUPAC name

2-(piperidin-1-yl)-N-(3-{1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-11-yl}phenyl)acetamide

SMILES

O=C(CN1CCCCC1)Nc1cc(N2Cc3nc(cccc4)c4n3CC2)ccc1

InChI

InChI=1S/C23H27N5O/c29-23(17-26-11-4-1-5-12-26)24-18-7-6-8-19(15-18)27-13-14-28-21-10-3-2-9-20(21)25-22(28)16-27/h2-3,6-10,15H,1,4-5,11-14,16-17H2,(H,24,29)

InChI Key

BGJBGEVXVPJIPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.091

Distribution Coefficient, logD

4.046

Water Solubility, LogSw

-4.14

Polar Surface Area

41.515

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D454-0100 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D454-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0100?
Check Price and Availability of D454-0100, 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 D454-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0100
  • 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 D454-0100 available by request