6466-1150 Screening compound: 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-cycloheptylpropanamide

6466-1150 Screening compound: 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-cycloheptylpropanamide
6466-1150 Screening compound: 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-cycloheptylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-1150
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-cycloheptylpropanamide

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

6466-1150

Molecular Formula

C22H24F3N3O3S (C22 H24 F3 N3 O3 S)

Compound Name

3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-cycloheptylpropanamide

IUPAC name

3-{[4-(2H-13-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-cycloheptylpropanamide

SMILES

O=C(CCSc1nc(-c(cc2)cc3c2OCO3)cc(C(F)(F)F)n1)NC1CCCCCC1

InChI

InChI=1S/C22H24F3N3O3S/c23-22(24,25)19-12-16(14-7-8-17-18(11-14)31-13-30-17)27-21(28-19)32-10-9-20(29)26-15-5-3-1-2-4-6-15/h7-8,11-12,15H,1-6,9-10,13H2,(H,26,29)

InChI Key

WZSWHZXDZTXGLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03043168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.748

Distribution Coefficient, logD

5.748

Water Solubility, LogSw

-5.87

Polar Surface Area

58.632

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 6466-1150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-1150?
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What is the minimum amount of 6466-1150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-1150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-1150
  • 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 6466-1150 available by request