V006-0494 Screening compound: 1-(3-dibenzo[b,d]thiophen-4-ylphenyl)-N~5~-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-1H-imidazole-5-carboxamide

V006-0494 Screening compound: 1-(3-dibenzo[b,d]thiophen-4-ylphenyl)-N~5~-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-1H-imidazole-5-carboxamide
V006-0494 Screening compound: 1-(3-dibenzo[b,d]thiophen-4-ylphenyl)-N~5~-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-1H-imidazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0494
1-(3-dibenzo[b,d]thiophen-4-ylphenyl)-N~5~-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-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

V006-0494

Molecular Formula

C31H23Cl2N3OS2 (C31 H23 Cl2 N3 OS2)

Compound Name

1-(3-dibenzo[b,d]thiophen-4-ylphenyl)-N~5~-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}-1H-imidazole-5-carboxamide

IUPAC name

N-(2-{[(26-dichlorophenyl)methyl]sulfanyl}ethyl)-1-(3-{8-thiatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaen-6-yl}phenyl)-1H-imidazole-5-carboxamide

SMILES

O=C(c1cncn1-c1cc(-c2c3sc(cccc4)c4c3ccc2)ccc1)NCCSCc(c(Cl)ccc1)c1Cl

InChI

InChI=1S/C31H23Cl2N3OS2/c32-26-11-5-12-27(33)25(26)18-38-15-14-35-31(37)28-17-34-19-36(28)21-7-3-6-20(16-21)22-9-4-10-24-23-8-1-2-13-29(23)39-30(22)24/h1-13,16-17,19H,14-15,18H2,(H,35,37)

InChI Key

RVJQZZKOWGYNAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19965508

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

588.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.496

Distribution Coefficient, logD

8.496

Water Solubility, LogSw

-6.68

Polar Surface Area

35.575

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.70

References: we are preparing a list of scientific research reports with V006-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0494?
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What is the minimum amount of V006-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0494
  • 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 V006-0494 available by request