D454-0093 Screening compound: N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-3-phenylpropanamide

D454-0093 Screening compound: N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-3-phenylpropanamide
D454-0093 Screening compound: N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0093
N~1~-{3-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-3-phenylpropanamide

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

D454-0093

Molecular Formula

C25H24N4O (C25 H24 N4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCc1ccccc1)Nc1cc(N2Cc3nc(cccc4)c4n3CC2)ccc1

InChI

InChI=1S/C25H24N4O/c30-25(14-13-19-7-2-1-3-8-19)26-20-9-6-10-21(17-20)28-15-16-29-23-12-5-4-11-22(23)27-24(29)18-28/h1-12,17H,13-16,18H2,(H,26,30)

InChI Key

OBSDXBLTQFKWAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.787

Distribution Coefficient, logD

4.787

Water Solubility, LogSw

-4.86

Polar Surface Area

37.511

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D454-0093 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with D454-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0093?
Check Price and Availability of D454-0093, 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 D454-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0093
  • 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 D454-0093 available by request