C885-4650 Screening compound: 1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide

C885-4650 Screening compound: 1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide
C885-4650 Screening compound: 1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C885-4650
1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide

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

C885-4650

Molecular Formula

C20H18F5N5O2S (C20 H18 F5 N5 O2 S)

Compound Name

1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide

IUPAC name

1-{5-oxo-7-propyl-5H-[134]thiadiazolo[32-a]pyrimidin-2-yl}-N-(23456-pentafluorophenyl)piperidine-4-carboxamide

SMILES

CCCC(N=C1SC(N(CC2)CCC2C(Nc(c(F)c(c(F)c2F)F)c2F)=O)=NN11)=CC1=O

InChI

InChI=1S/C20H18F5N5O2S/c1-2-3-10-8-11(31)30-19(26-10)33-20(28-30)29-6-4-9(5-7-29)18(32)27-17-15(24)13(22)12(21)14(23)16(17)25/h8-9H,2-7H2,1H3,(H,27,32)

InChI Key

TXZYZBKICQCWDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.668

Distribution Coefficient, logD

-0.982

Water Solubility, LogSw

-3.78

Polar Surface Area

63.274

Acid Dissociation Constant (pKa)

2.75

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C885-4650 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C885-4650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C885-4650?
Check Price and Availability of C885-4650, 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 C885-4650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C885-4650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C885-4650
  • 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 C885-4650 available by request