4486-0170 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-6-methylpyrimidin-4-ol

4486-0170 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-6-methylpyrimidin-4-ol
4486-0170 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-6-methylpyrimidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4486-0170
2-{[(4-chlorophenyl)methyl]sulfanyl}-6-methylpyrimidin-4-ol

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

4486-0170

Molecular Formula

C12H11ClN2OS (C12 H11 ClN2 OS)

Compound Name

2-{[(4-chlorophenyl)methyl]sulfanyl}-6-methylpyrimidin-4-ol

IUPAC name

2-{[(4-chlorophenyl)methyl]sulfanyl}-6-methylpyrimidin-4-ol

SMILES

Cc1nc(SCc(cc2)ccc2Cl)nc(O)c1

InChI

InChI=1S/C12H11ClN2OS/c1-8-6-11(16)15-12(14-8)17-7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,15,16)

InChI Key

KAYFBYGQLVMKBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00206992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.75

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.006

Distribution Coefficient, logD

2.849

Water Solubility, LogSw

-2.93

Polar Surface Area

34.325

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4486-0170 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 4486-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4486-0170?
Check Price and Availability of 4486-0170, 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 4486-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4486-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4486-0170
  • 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 4486-0170 available by request