D454-0158 Screening compound: N~1~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}-4-(1H-pyrrol-1-yl)benzamide

D454-0158 Screening compound: N~1~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}-4-(1H-pyrrol-1-yl)benzamide
D454-0158 Screening compound: N~1~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}-4-(1H-pyrrol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0158
N~1~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}-4-(1H-pyrrol-1-yl)benzamide

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

D454-0158

Molecular Formula

C28H25N5O (C28 H25 N5 O)

Compound Name

N~1~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methylphenyl}-4-(1H-pyrrol-1-yl)benzamide

IUPAC name

N-(2-methyl-4-{1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-11-yl}phenyl)-4-(1H-pyrrol-1-yl)benzamide

SMILES

Cc(cc(cc1)N2Cc3nc(cccc4)c4n3CC2)c1NC(c(cc1)ccc1-n1cccc1)=O

InChI

InChI=1S/C28H25N5O/c1-20-18-23(32-16-17-33-26-7-3-2-6-25(26)29-27(33)19-32)12-13-24(20)30-28(34)21-8-10-22(11-9-21)31-14-4-5-15-31/h2-15,18H,16-17,19H2,1H3,(H,30,34)

InChI Key

ZPJJHMJASLTVDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.331

Distribution Coefficient, logD

5.331

Water Solubility, LogSw

-5.31

Polar Surface Area

41.013

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D454-0158 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 D454-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0158?
Check Price and Availability of D454-0158, 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 D454-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0158
  • 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 D454-0158 available by request