D466-0397 Screening compound: N~2~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-thiophenecarboxamide

D466-0397 Screening compound: N~2~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-thiophenecarboxamide
D466-0397 Screening compound: N~2~-(2-isopropyl-1,2,3,4-tetrahydropyrazino[1,2-a][1,3]benzimidazol-8-yl)-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D466-0397
N~2~-(2-isopropyl-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

D466-0397

Molecular Formula

C18H20N4OS (C18 H20 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N1Cc2nc(cc(cc3)NC(c4cccs4)=O)c3n2CC1

InChI

InChI=1S/C18H20N4OS/c1-12(2)21-7-8-22-15-6-5-13(10-14(15)20-17(22)11-21)19-18(23)16-4-3-9-24-16/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,19,23)

InChI Key

VZJQSAHLQKICBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.271

Distribution Coefficient, logD

3.232

Water Solubility, LogSw

-3.50

Polar Surface Area

39.347

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

6.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D466-0397 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D466-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D466-0397?
Check Price and Availability of D466-0397, 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 D466-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D466-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D466-0397
  • 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 D466-0397 available by request