8019-3576 Screening compound: N~2~-{4-[6-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}-2-thiophenecarboxamide

8019-3576 Screening compound: N~2~-{4-[6-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}-2-thiophenecarboxamide
8019-3576 Screening compound: N~2~-{4-[6-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3576
N~2~-{4-[6-chloro-3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]-2-methoxyphenyl}-2-thiophenecarboxamide

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

8019-3576

Molecular Formula

C22H19ClN4O2S (C22 H19 ClN4 O2 S)

Compound Name

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

IUPAC name

N-(4-{3-chloro-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-11-yl}-2-methoxyphenyl)thiophene-2-carboxamide

SMILES

COc(cc(cc1)N2Cc3nc4cccc(Cl)c4n3CC2)c1NC(c1cccs1)=O

InChI

InChI=1S/C22H19ClN4O2S/c1-29-18-12-14(7-8-16(18)25-22(28)19-6-3-11-30-19)26-9-10-27-20(13-26)24-17-5-2-4-15(23)21(17)27/h2-8,11-12H,9-10,13H2,1H3,(H,25,28)

InChI Key

XFPNIPWSCAAWOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.673

Distribution Coefficient, logD

4.673

Water Solubility, LogSw

-4.90

Polar Surface Area

45.452

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8019-3576 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8019-3576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3576?
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What is the minimum amount of 8019-3576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3576
  • 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 8019-3576 available by request