D454-0517 Screening compound: N~1~-{3-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2,2-dimethylpropanamide

D454-0517 Screening compound: N~1~-{3-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2,2-dimethylpropanamide
D454-0517 Screening compound: N~1~-{3-[8-chloro-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 D454-0517
N~1~-{3-[8-chloro-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

D454-0517

Molecular Formula

C21H23ClN4O (C21 H23 ClN4 O)

Compound Name

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

IUPAC name

N-(3-{5-chloro-1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-11-yl}phenyl)-22-dimethylpropanamide

SMILES

CC(C)(C)C(Nc1cccc(N2Cc3nc(cc(cc4)Cl)c4n3CC2)c1)=O

InChI

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

InChI Key

YYLBRKUZRHPTMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587139

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

4.646

Distribution Coefficient, logD

4.646

Water Solubility, LogSw

-4.68

Polar Surface Area

37.996

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D454-0517 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D454-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0517?
Check Price and Availability of D454-0517, 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 D454-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0517
  • 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 D454-0517 available by request