6466-0904 Screening compound: 2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide

6466-0904 Screening compound: 2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
6466-0904 Screening compound: 2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0904
2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]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

6466-0904

Molecular Formula

C20H18F3N3O2S (C20 H18 F3 N3 O2 S)

Compound Name

2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide

IUPAC name

2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide

SMILES

CC(C)c(cc1)ccc1NC(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C20H18F3N3O2S/c1-12(2)13-5-7-14(8-6-13)24-18(27)11-29-19-25-15(16-4-3-9-28-16)10-17(26-19)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,24,27)

InChI Key

MHWFHBGQDMQQGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02737379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.554

Distribution Coefficient, logD

5.554

Water Solubility, LogSw

-5.38

Polar Surface Area

48.716

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 6466-0904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0904?
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What is the minimum amount of 6466-0904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0904
  • 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 6466-0904 available by request