C885-4849 Screening compound: N-(2-chloro-4-fluorophenyl)-1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}piperidine-4-carboxamide

C885-4849 Screening compound: N-(2-chloro-4-fluorophenyl)-1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
C885-4849 Screening compound: N-(2-chloro-4-fluorophenyl)-1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C885-4849
N-(2-chloro-4-fluorophenyl)-1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}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

C885-4849

Molecular Formula

C20H21ClFN5O2S (C20 H21 ClFN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCC(N=C1SC(N(CC2)CCC2C(Nc(ccc(F)c2)c2Cl)=O)=NN11)=CC1=O

InChI

InChI=1S/C20H21ClFN5O2S/c1-2-3-14-11-17(28)27-19(23-14)30-20(25-27)26-8-6-12(7-9-26)18(29)24-16-5-4-13(22)10-15(16)21/h4-5,10-12H,2-3,6-9H2,1H3,(H,24,29)

InChI Key

QTICNTAALLUXDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.94

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

3.782

Distribution Coefficient, logD

3.737

Water Solubility, LogSw

-4.14

Polar Surface Area

63.971

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with C885-4849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C885-4849?
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What is the minimum amount of C885-4849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C885-4849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C885-4849
  • 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 C885-4849 available by request