V006-0612 Screening compound: 1-(3-dibenzo[b,d]thiophen-4-ylphenyl)-N~5~-[(5-methyl-2-pyrazinyl)methyl]-1H-imidazole-5-carboxamide

V006-0612 Screening compound: 1-(3-dibenzo[b,d]thiophen-4-ylphenyl)-N~5~-[(5-methyl-2-pyrazinyl)methyl]-1H-imidazole-5-carboxamide
V006-0612 Screening compound: 1-(3-dibenzo[b,d]thiophen-4-ylphenyl)-N~5~-[(5-methyl-2-pyrazinyl)methyl]-1H-imidazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0612
1-(3-dibenzo[b,d]thiophen-4-ylphenyl)-N~5~-[(5-methyl-2-pyrazinyl)methyl]-1H-imidazole-5-carboxamide

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

V006-0612

Molecular Formula

C28H21N5OS (C28 H21 N5 OS)

Compound Name

1-(3-dibenzo[b,d]thiophen-4-ylphenyl)-N~5~-[(5-methyl-2-pyrazinyl)methyl]-1H-imidazole-5-carboxamide

IUPAC name

N-[(5-methylpyrazin-2-yl)methyl]-1-(3-{8-thiatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaen-6-yl}phenyl)-1H-imidazole-5-carboxamide

SMILES

Cc1cnc(CNC(c2cncn2-c2cccc(-c3c4sc(cccc5)c5c4ccc3)c2)=O)cn1

InChI

InChI=1S/C28H21N5OS/c1-18-13-31-20(14-30-18)15-32-28(34)25-16-29-17-33(25)21-7-4-6-19(12-21)22-9-5-10-24-23-8-2-3-11-26(23)35-27(22)24/h2-14,16-17H,15H2,1H3,(H,32,34)

InChI Key

QIDHJZPKYQNAGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19965811

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

475.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.258

Distribution Coefficient, logD

5.258

Water Solubility, LogSw

-5.13

Polar Surface Area

54.310

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

V006-0612 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V006-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0612?
Check Price and Availability of V006-0612, 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 V006-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0612
  • 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 V006-0612 available by request