8019-3571 Screening compound: N~1~-{4-[6-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-3,4-dimethoxybenzamide

8019-3571 Screening compound: N~1~-{4-[6-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-3,4-dimethoxybenzamide
8019-3571 Screening compound: N~1~-{4-[6-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3571
N~1~-{4-[6-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-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

8019-3571

Molecular Formula

C25H23ClN4O3 (C25 H23 ClN4 O3)

Compound Name

N~1~-{4-[6-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-3,4-dimethoxybenzamide

IUPAC name

N-(4-{3-chloro-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-11-yl}phenyl)-34-dimethoxybenzamide

SMILES

COc(ccc(C(Nc(cc1)ccc1N1Cc2nc3cccc(Cl)c3n2CC1)=O)c1)c1OC

InChI

InChI=1S/C25H23ClN4O3/c1-32-21-11-6-16(14-22(21)33-2)25(31)27-17-7-9-18(10-8-17)29-12-13-30-23(15-29)28-20-5-3-4-19(26)24(20)30/h3-11,14H,12-13,15H2,1-2H3,(H,27,31)

InChI Key

MFNBRKPFNFDAAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.380

Distribution Coefficient, logD

4.380

Water Solubility, LogSw

-4.59

Polar Surface Area

52.762

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8019-3571 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8019-3571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3571?
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What is the minimum amount of 8019-3571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3571
  • 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 8019-3571 available by request