D454-0325 Screening compound: N~1~-{2-chloro-4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2,2-dimethylpropanamide

D454-0325 Screening compound: N~1~-{2-chloro-4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2,2-dimethylpropanamide
D454-0325 Screening compound: N~1~-{2-chloro-4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0325
N~1~-{2-chloro-4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2,2-dimethylpropanamide

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

D454-0325

Molecular Formula

C21H23ClN4O (C21 H23 ClN4 O)

Compound Name

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

IUPAC name

N-(2-chloro-4-{1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-11-yl}phenyl)-22-dimethylpropanamide

SMILES

CC(C)(C)C(Nc(ccc(N1Cc2nc(cccc3)c3n2CC1)c1)c1Cl)=O

InChI

InChI=1S/C21H23ClN4O/c1-21(2,3)20(27)24-16-9-8-14(12-15(16)22)25-10-11-26-18-7-5-4-6-17(18)23-19(26)13-25/h4-9,12H,10-11,13H2,1-3H3,(H,24,27)

InChI Key

WOMIDKJXTXRRGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.89

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

4.375

Distribution Coefficient, logD

4.374

Water Solubility, LogSw

-4.38

Polar Surface Area

37.298

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D454-0325 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)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D454-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0325?
Check Price and Availability of D454-0325, 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 D454-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0325
  • 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 D454-0325 available by request