6466-0249 Screening compound: 2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]acetamide

6466-0249 Screening compound: 2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]acetamide
6466-0249 Screening compound: 2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0249
2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]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

6466-0249

Molecular Formula

C20H17F3N4O2S (C20 H17 F3 N4 O2 S)

Compound Name

2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]acetamide

IUPAC name

2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]acetamide

SMILES

COc(cc1)ccc1-c1cc(C(F)(F)F)nc(SCC(NCc2cnccc2)=O)n1

InChI

InChI=1S/C20H17F3N4O2S/c1-29-15-6-4-14(5-7-15)16-9-17(20(21,22)23)27-19(26-16)30-12-18(28)25-11-13-3-2-8-24-10-13/h2-10H,11-12H2,1H3,(H,25,28)

InChI Key

IRSXZEVHOYUKBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.745

Distribution Coefficient, logD

3.743

Water Solubility, LogSw

-3.81

Polar Surface Area

58.522

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6466-0249 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 6466-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0249?
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What is the minimum amount of 6466-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0249
  • 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 6466-0249 available by request