6466-1191 Screening compound: 3-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]propanamide

6466-1191 Screening compound: 3-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]propanamide
6466-1191 Screening compound: 3-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-1191
3-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]propanamide

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

6466-1191

Molecular Formula

C20H18F3N3O2S2 (C20 H18 F3 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1cc(C(F)(F)F)nc(SCCC(NCc2cccs2)=O)n1

InChI

InChI=1S/C20H18F3N3O2S2/c1-28-14-6-4-13(5-7-14)16-11-17(20(21,22)23)26-19(25-16)30-10-8-18(27)24-12-15-3-2-9-29-15/h2-7,9,11H,8,10,12H2,1H3,(H,24,27)

InChI Key

DCZQMMRAGUZWMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03043219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.066

Distribution Coefficient, logD

5.066

Water Solubility, LogSw

-4.74

Polar Surface Area

50.022

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6466-1191 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6466-1191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-1191?
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What is the minimum amount of 6466-1191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-1191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-1191
  • 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 6466-1191 available by request