6466-0529 Screening compound: N-(2-chloropyridin-3-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide

6466-0529 Screening compound: N-(2-chloropyridin-3-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide
6466-0529 Screening compound: N-(2-chloropyridin-3-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0529
N-(2-chloropyridin-3-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}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

6466-0529

Molecular Formula

C19H14ClF3N4OS (C19 H14 ClF3 N4 OS)

Compound Name

N-(2-chloropyridin-3-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide

IUPAC name

N-(2-chloropyridin-3-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide

SMILES

CC(C(Nc1cccnc1Cl)=O)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1

InChI

InChI=1S/C19H14ClF3N4OS/c1-11(17(28)25-13-8-5-9-24-16(13)20)29-18-26-14(12-6-3-2-4-7-12)10-15(27-18)19(21,22)23/h2-11H,1H3,(H,25,28)/t11-/m0/s1

InChI Key

GMTODCWBZIZXFT-NSHDSACASA-N

MDL Number (MFCD)

MFCD02736980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.281

Distribution Coefficient, logD

5.281

Water Solubility, LogSw

-5.91

Polar Surface Area

49.339

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

6466-0529 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6466-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0529?
Check Price and Availability of 6466-0529, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6466-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0529
  • 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 6466-0529 available by request