V005-6485 Screening compound: 4-(5-{[(4-iodophenyl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)-2-phenylquinoline

V005-6485 Screening compound: 4-(5-{[(4-iodophenyl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)-2-phenylquinoline
V005-6485 Screening compound: 4-(5-{[(4-iodophenyl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)-2-phenylquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-6485
4-(5-{[(4-iodophenyl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)-2-phenylquinoline

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

V005-6485

Molecular Formula

C29H25IN4OS (C29 H25 IN4 OS)

Compound Name

4-(5-{[(4-iodophenyl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)-2-phenylquinoline

IUPAC name

4-(5-{[(4-iodophenyl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]-4H-124-triazol-3-yl)-2-phenylquinoline

SMILES

Ic1ccc(CSc2nnc(-c3cc(-c4ccccc4)nc4ccccc34)n2CC2OCCC2)cc1

InChI

InChI=1S/C29H25IN4OS/c30-22-14-12-20(13-15-22)19-36-29-33-32-28(34(29)18-23-9-6-16-35-23)25-17-27(21-7-2-1-3-8-21)31-26-11-5-4-10-24(25)26/h1-5,7-8,10-15,17,23H,6,9,16,18-19H2/t23-/m1/s1

InChI Key

JXUBCVXXFWXMPT-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19947198

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

604.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.322

Distribution Coefficient, logD

7.321

Water Solubility, LogSw

-6.48

Polar Surface Area

40.683

Acid Dissociation Constant (pKa)

18.53

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

V005-6485 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V005-6485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-6485?
Check Price and Availability of V005-6485, 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 V005-6485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-6485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-6485
  • 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 V005-6485 available by request