D454-0038 Screening compound: N~2~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-thiophenecarboxamide

D454-0038 Screening compound: N~2~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-thiophenecarboxamide
D454-0038 Screening compound: N~2~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D454-0038
N~2~-{4-[3,4-dihydropyrazino[1,2-a][1,3]benzimidazol-2(1H)-yl]phenyl}-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

D454-0038

Molecular Formula

C21H18N4OS (C21 H18 N4 OS)

Compound Name

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

IUPAC name

N-(4-{1811-triazatricyclo[7.4.0.0^{27}]trideca-2468-tetraen-11-yl}phenyl)thiophene-2-carboxamide

SMILES

O=C(c1cccs1)Nc(cc1)ccc1N1Cc2nc(cccc3)c3n2CC1

InChI

InChI=1S/C21H18N4OS/c26-21(19-6-3-13-27-19)22-15-7-9-16(10-8-15)24-11-12-25-18-5-2-1-4-17(18)23-20(25)14-24/h1-10,13H,11-12,14H2,(H,22,26)

InChI Key

ARWRKKULLABCBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.265

Distribution Coefficient, logD

4.265

Water Solubility, LogSw

-4.19

Polar Surface Area

38.743

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D454-0038 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D454-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D454-0038?
Check Price and Availability of D454-0038, 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 D454-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D454-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D454-0038
  • 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 D454-0038 available by request