C885-0256 Screening compound: N-[2-(2,5-dimethoxyphenyl)ethyl]-1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}piperidine-4-carboxamide

C885-0256 Screening compound: N-[2-(2,5-dimethoxyphenyl)ethyl]-1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
C885-0256 Screening compound: N-[2-(2,5-dimethoxyphenyl)ethyl]-1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C885-0256
N-[2-(2,5-dimethoxyphenyl)ethyl]-1-{7-methyl-5-oxo-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

C885-0256

Molecular Formula

C22H27N5O4S (C22 H27 N5 O4 S)

Compound Name

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

IUPAC name

N-[2-(25-dimethoxyphenyl)ethyl]-1-{7-methyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-2-yl}piperidine-4-carboxamide

SMILES

CC(N=C1SC(N(CC2)CCC2C(NCCc(cc(cc2)OC)c2OC)=O)=NN11)=CC1=O

InChI

InChI=1S/C22H27N5O4S/c1-14-12-19(28)27-21(24-14)32-22(25-27)26-10-7-15(8-11-26)20(29)23-9-6-16-13-17(30-2)4-5-18(16)31-3/h4-5,12-13,15H,6-11H2,1-3H3,(H,23,29)

InChI Key

RPCRUOPUZLCPJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.182

Distribution Coefficient, logD

2.178

Water Solubility, LogSw

-2.86

Polar Surface Area

80.400

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with C885-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C885-0256?
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What is the minimum amount of C885-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C885-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C885-0256
  • 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 C885-0256 available by request