6466-1081 Screening compound: 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]acetamide

6466-1081 Screening compound: 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]acetamide
6466-1081 Screening compound: 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-1081
2-{[4-(3,4-dimethoxyphenyl)-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

6466-1081

Molecular Formula

C21H19F3N4O3S (C21 H19 F3 N4 O3 S)

Compound Name

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

IUPAC name

2-{[4-(34-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]acetamide

SMILES

COc(ccc(-c1cc(C(F)(F)F)nc(SCC(NCc2cnccc2)=O)n1)c1)c1OC

InChI

InChI=1S/C21H19F3N4O3S/c1-30-16-6-5-14(8-17(16)31-2)15-9-18(21(22,23)24)28-20(27-15)32-12-19(29)26-11-13-4-3-7-25-10-13/h3-10H,11-12H2,1-2H3,(H,26,29)

InChI Key

MABNFNAKVQYAPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03045228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.263

Distribution Coefficient, logD

3.261

Water Solubility, LogSw

-3.27

Polar Surface Area

66.239

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 6466-1081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-1081?
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What is the minimum amount of 6466-1081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-1081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-1081
  • 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 6466-1081 available by request