6466-1113 Screening compound: 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide

6466-1113 Screening compound: 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide
6466-1113 Screening compound: 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-1113
2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(1,3-dimethyl-1H-pyrazol-4-yl)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

6466-1113

Molecular Formula

C20H20F3N5O3S (C20 H20 F3 N5 O3 S)

Compound Name

2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide

IUPAC name

2-{[4-(34-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(13-dimethyl-1H-pyrazol-4-yl)acetamide

SMILES

Cc1nn(C)cc1NC(CSc1nc(-c(cc2)cc(OC)c2OC)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C20H20F3N5O3S/c1-11-14(9-28(2)27-11)24-18(29)10-32-19-25-13(8-17(26-19)20(21,22)23)12-5-6-15(30-3)16(7-12)31-4/h5-9H,10H2,1-4H3,(H,24,29)

InChI Key

GPEZKMRJLFZFML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03045285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.831

Distribution Coefficient, logD

2.830

Water Solubility, LogSw

-3.32

Polar Surface Area

69.863

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 6466-1113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-1113?
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What is the minimum amount of 6466-1113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-1113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-1113
  • 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 6466-1113 available by request