V007-4408 Screening compound: 1-azocanyl[1-(3-dibenzo[b,d]thiophen-4-ylphenyl)-1H-imidazol-5-yl]methanone

V007-4408 Screening compound: 1-azocanyl[1-(3-dibenzo[b,d]thiophen-4-ylphenyl)-1H-imidazol-5-yl]methanone
V007-4408 Screening compound: 1-azocanyl[1-(3-dibenzo[b,d]thiophen-4-ylphenyl)-1H-imidazol-5-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-4408
1-azocanyl[1-(3-dibenzo[b,d]thiophen-4-ylphenyl)-1H-imidazol-5-yl]methanone

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

V007-4408

Molecular Formula

C29H27N3OS (C29 H27 N3 OS)

Compound Name

1-azocanyl[1-(3-dibenzo[b,d]thiophen-4-ylphenyl)-1H-imidazol-5-yl]methanone

IUPAC name

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

SMILES

O=C(c1cncn1-c1cccc(-c2c3sc(cccc4)c4c3ccc2)c1)N1CCCCCCC1

InChI

InChI=1S/C29H27N3OS/c33-29(31-16-6-2-1-3-7-17-31)26-19-30-20-32(26)22-11-8-10-21(18-22)23-13-9-14-25-24-12-4-5-15-27(24)34-28(23)25/h4-5,8-15,18-20H,1-3,6-7,16-17H2

InChI Key

HJBFUWYRLLTGHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19965690

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

465.62

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.120

Distribution Coefficient, logD

7.118

Water Solubility, LogSw

-6.27

Polar Surface Area

28.299

Acid Dissociation Constant (pKa)

28.10

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

V007-4408 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V007-4408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-4408?
Check Price and Availability of V007-4408, 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 V007-4408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-4408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-4408
  • 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 V007-4408 available by request