V015-3997 Screening compound: 3-({[4-(3,5-dimethylphenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile

V015-3997 Screening compound: 3-({[4-(3,5-dimethylphenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
V015-3997 Screening compound: 3-({[4-(3,5-dimethylphenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-3997
3-({[4-(3,5-dimethylphenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile

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

V015-3997

Molecular Formula

C23H23N3OS (C23 H23 N3 OS)

Compound Name

3-({[4-(3,5-dimethylphenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile

IUPAC name

3-({[4-(35-dimethylphenoxy)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzonitrile

SMILES

CC(C)c1nc(SCc2cc(C#N)ccc2)nc(Oc2cc(C)cc(C)c2)c1

InChI

InChI=1S/C23H23N3OS/c1-15(2)21-12-22(27-20-9-16(3)8-17(4)10-20)26-23(25-21)28-14-19-7-5-6-18(11-19)13-24/h5-12,15H,14H2,1-4H3

InChI Key

IXIYPBNQVIIRON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19889167

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.233

Distribution Coefficient, logD

6.233

Water Solubility, LogSw

-5.68

Polar Surface Area

40.965

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

V015-3997 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V015-3997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-3997?
Check Price and Availability of V015-3997, 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 V015-3997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-3997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-3997
  • 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 V015-3997 available by request