D454-0609 Screening compound: N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}-2-methylpropanamide

D454-0609 Screening compound: N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}-2-methylpropanamide
D454-0609 Screening compound: N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0609
N~1~-{4-[8-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}-2-methylpropanamide

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

D454-0609

Molecular Formula

C21H23ClN4O2 (C21 H23 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(Nc(ccc(N1Cc2nc(cc(cc3)Cl)c3n2CC1)c1)c1OC)=O

InChI

InChI=1S/C21H23ClN4O2/c1-13(2)21(27)24-16-6-5-15(11-19(16)28-3)25-8-9-26-18-7-4-14(22)10-17(18)23-20(26)12-25/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,24,27)

InChI Key

ZCFSJKLDXLBFDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.89

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

4.441

Distribution Coefficient, logD

4.441

Water Solubility, LogSw

-4.53

Polar Surface Area

44.929

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D454-0609 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D454-0609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0609?
Check Price and Availability of D454-0609, 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 D454-0609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0609
  • 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 D454-0609 available by request