V023-2456 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-6-[4-(propan-2-yl)phenoxy]pyrimidine

V023-2456 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-6-[4-(propan-2-yl)phenoxy]pyrimidine
V023-2456 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-6-[4-(propan-2-yl)phenoxy]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-2456
2-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-6-[4-(propan-2-yl)phenoxy]pyrimidine

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

V023-2456

Molecular Formula

C22H23ClN2OS (C22 H23 ClN2 OS)

Compound Name

2-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-6-[4-(propan-2-yl)phenoxy]pyrimidine

IUPAC name

2-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-6-[4-(propan-2-yl)phenoxy]pyrimidine

SMILES

CCc1nc(SCc2cccc(Cl)c2)nc(Oc2ccc(C(C)C)cc2)c1

InChI

InChI=1S/C22H23ClN2OS/c1-4-19-13-21(26-20-10-8-17(9-11-20)15(2)3)25-22(24-19)27-14-16-6-5-7-18(23)12-16/h5-13,15H,4,14H2,1-3H3

InChI Key

LJTUGDDNVTWMJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19889293

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

398.96

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.407

Distribution Coefficient, logD

7.407

Water Solubility, LogSw

-6.71

Polar Surface Area

24.404

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

V023-2456 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V023-2456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-2456?
Check Price and Availability of V023-2456, 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 V023-2456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-2456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-2456
  • 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 V023-2456 available by request