C885-4850 Screening compound: N-(3-fluoro-4-methylphenyl)-1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}piperidine-4-carboxamide

C885-4850 Screening compound: N-(3-fluoro-4-methylphenyl)-1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
C885-4850 Screening compound: N-(3-fluoro-4-methylphenyl)-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 C885-4850
N-(3-fluoro-4-methylphenyl)-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

C885-4850

Molecular Formula

C21H24FN5O2S (C21 H24 FN5 O2 S)

Compound Name

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

IUPAC name

N-(3-fluoro-4-methylphenyl)-1-{5-oxo-7-propyl-5H-[134]thiadiazolo[32-a]pyrimidin-2-yl}piperidine-4-carboxamide

SMILES

CCCC(N=C1SC(N(CC2)CCC2C(Nc2cc(F)c(C)cc2)=O)=NN11)=CC1=O

InChI

InChI=1S/C21H24FN5O2S/c1-3-4-15-12-18(28)27-20(24-15)30-21(25-27)26-9-7-14(8-10-26)19(29)23-16-6-5-13(2)17(22)11-16/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H,23,29)

InChI Key

AXIPRVKPJUQKID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

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

3.700

Distribution Coefficient, logD

3.696

Water Solubility, LogSw

-3.88

Polar Surface Area

64.669

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with C885-4850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C885-4850?
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What is the minimum amount of C885-4850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C885-4850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C885-4850
  • 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 C885-4850 available by request