C200-8531 Screening compound: 2-{[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide

C200-8531 Screening compound: 2-{[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide
C200-8531 Screening compound: 2-{[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8531
2-{[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide

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

C200-8531

Molecular Formula

C21H21N3O2S (C21 H21 N3 O2 S)

Compound Name

2-{[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide

IUPAC name

2-{[6-(35-dimethylphenoxy)pyrimidin-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide

SMILES

Cc1cc(Oc2cc(SCC(Nc3c(C)cccc3)=O)ncn2)cc(C)c1

InChI

InChI=1S/C21H21N3O2S/c1-14-8-15(2)10-17(9-14)26-20-11-21(23-13-22-20)27-12-19(25)24-18-7-5-4-6-16(18)3/h4-11,13H,12H2,1-3H3,(H,24,25)

InChI Key

WPWBGTGJYZRTTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.129

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-4.25

Polar Surface Area

48.238

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with C200-8531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8531?
Check Price and Availability of C200-8531, 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 C200-8531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8531
  • 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 C200-8531 available by request