V006-0950 Screening compound: 4-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-(3,4-dimethylphenoxy)pyrimidine

V006-0950 Screening compound: 4-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-(3,4-dimethylphenoxy)pyrimidine
V006-0950 Screening compound: 4-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-(3,4-dimethylphenoxy)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0950
4-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-(3,4-dimethylphenoxy)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

V006-0950

Molecular Formula

C23H25ClN2OS (C23 H25 ClN2 OS)

Compound Name

4-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-(3,4-dimethylphenoxy)pyrimidine

IUPAC name

4-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-(34-dimethylphenoxy)pyrimidine

SMILES

CC(C)(C)c1nc(SCc(cccc2)c2Cl)nc(Oc2cc(C)c(C)cc2)c1

InChI

InChI=1S/C23H25ClN2OS/c1-15-10-11-18(12-16(15)2)27-21-13-20(23(3,4)5)25-22(26-21)28-14-17-8-6-7-9-19(17)24/h6-13H,14H2,1-5H3

InChI Key

DDHGLEBNOUPDIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19889562

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

412.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.844

Distribution Coefficient, logD

7.844

Water Solubility, LogSw

-6.57

Polar Surface Area

23.908

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with V006-0950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0950?
Check Price and Availability of V006-0950, 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 V006-0950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0950
  • 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 V006-0950 available by request