6466-0509 Screening compound: butyl 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanoate

6466-0509 Screening compound: butyl 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanoate
6466-0509 Screening compound: butyl 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0509
butyl 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanoate

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

6466-0509

Molecular Formula

C19H19F3N2O4S (C19 H19 F3 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H19F3N2O4S/c1-2-3-7-26-17(25)6-8-29-18-23-13(10-16(24-18)19(20,21)22)12-4-5-14-15(9-12)28-11-27-14/h4-5,9-10H,2-3,6-8,11H2,1H3

InChI Key

PSFNCFLRNXVTOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02736961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.377

Distribution Coefficient, logD

5.377

Water Solubility, LogSw

-5.32

Polar Surface Area

54.828

Acid Dissociation Constant (pKa)

23.45

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with 6466-0509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0509?
Check Price and Availability of 6466-0509, 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 6466-0509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0509
  • 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 6466-0509 available by request