C885-4834 Screening compound: N-[(4-butoxyphenyl)methyl]-1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}piperidine-4-carboxamide

C885-4834 Screening compound: N-[(4-butoxyphenyl)methyl]-1-{5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
C885-4834 Screening compound: N-[(4-butoxyphenyl)methyl]-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 C885-4834
N-[(4-butoxyphenyl)methyl]-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

C885-4834

Molecular Formula

C25H33N5O3S (C25 H33 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc1ccc(CNC(C(CC2)CCN2C(SC2=NC(CCC)=C3)=NN2C3=O)=O)cc1

InChI

InChI=1S/C25H33N5O3S/c1-3-5-15-33-21-9-7-18(8-10-21)17-26-23(32)19-11-13-29(14-12-19)25-28-30-22(31)16-20(6-4-2)27-24(30)34-25/h7-10,16,19H,3-6,11-15,17H2,1-2H3,(H,26,32)

InChI Key

UFXZINWUOXPJLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.172

Distribution Coefficient, logD

4.168

Water Solubility, LogSw

-3.92

Polar Surface Area

73.409

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

References: we are preparing a list of scientific research reports with C885-4834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C885-4834?
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What is the minimum amount of C885-4834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C885-4834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C885-4834
  • 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 C885-4834 available by request