D454-0269 Screening compound: N~1~-{5-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}pentanamide

D454-0269 Screening compound: N~1~-{5-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}pentanamide
D454-0269 Screening compound: N~1~-{5-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0269
N~1~-{5-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}pentanamide

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

D454-0269

Molecular Formula

C22H26N4O2 (C22 H26 N4 O2)

Compound Name

N~1~-{5-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}pentanamide

IUPAC name

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

SMILES

CCCCC(Nc(cc(cc1)N2Cc3nc(cccc4)c4n3CC2)c1OC)=O

InChI

InChI=1S/C22H26N4O2/c1-3-4-9-22(27)24-18-14-16(10-11-20(18)28-2)25-12-13-26-19-8-6-5-7-17(19)23-21(26)15-25/h5-8,10-11,14H,3-4,9,12-13,15H2,1-2H3,(H,24,27)

InChI Key

IGFNEAREEMWCDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.624

Distribution Coefficient, logD

3.623

Water Solubility, LogSw

-3.75

Polar Surface Area

44.715

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D454-0269 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 D454-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0269?
Check Price and Availability of D454-0269, 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 D454-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0269
  • 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 D454-0269 available by request