D466-0347 Screening compound: N~2~-(2-butyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-thiophenecarboxamide

D466-0347 Screening compound: N~2~-(2-butyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-thiophenecarboxamide
D466-0347 Screening compound: N~2~-(2-butyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D466-0347
N~2~-(2-butyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-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

D466-0347

Molecular Formula

C19H22N4OS (C19 H22 N4 OS)

Compound Name

N~2~-(2-butyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-thiophenecarboxamide

IUPAC name

N-{11-butyl-1811-triazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraen-5-yl}thiophene-2-carboxamide

SMILES

CCCCN1Cc2nc(cc(cc3)NC(c4cccs4)=O)c3n2CC1

InChI

InChI=1S/C19H22N4OS/c1-2-3-8-22-9-10-23-16-7-6-14(12-15(16)21-18(23)13-22)20-19(24)17-5-4-11-25-17/h4-7,11-12H,2-3,8-10,13H2,1H3,(H,20,24)

InChI Key

QRVUOQUOIOKKQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.773

Distribution Coefficient, logD

3.750

Water Solubility, LogSw

-3.70

Polar Surface Area

39.273

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

D466-0347 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS BBB Library (22607 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D466-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D466-0347?
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What is the minimum amount of D466-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D466-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D466-0347
  • 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 D466-0347 available by request