D454-0231 Screening compound: N~1~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}-3,4-dimethoxybenzamide

D454-0231 Screening compound: N~1~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}-3,4-dimethoxybenzamide
D454-0231 Screening compound: N~1~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0231
N~1~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}-3,4-dimethoxybenzamide

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

D454-0231

Molecular Formula

C26H26N4O4 (C26 H26 N4 O4)

Compound Name

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

IUPAC name

34-dimethoxy-N-(2-methoxy-4-{1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-11-yl}phenyl)benzamide

SMILES

COc(ccc(C(Nc(ccc(N1Cc2nc(cccc3)c3n2CC1)c1)c1OC)=O)c1)c1OC

InChI

InChI=1S/C26H26N4O4/c1-32-22-11-8-17(14-24(22)34-3)26(31)28-20-10-9-18(15-23(20)33-2)29-12-13-30-21-7-5-4-6-19(21)27-25(30)16-29/h4-11,14-15H,12-13,16H2,1-3H3,(H,28,31)

InChI Key

UMUKQCIXOOKGES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.981

Distribution Coefficient, logD

3.981

Water Solubility, LogSw

-4.15

Polar Surface Area

59.918

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with D454-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0231?
Check Price and Availability of D454-0231, 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 D454-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0231
  • 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 D454-0231 available by request