C885-4582 Screening compound: N-[2-(2-methoxyphenyl)ethyl]-2-[methyl({5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]acetamide

C885-4582 Screening compound: N-[2-(2-methoxyphenyl)ethyl]-2-[methyl({5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]acetamide
C885-4582 Screening compound: N-[2-(2-methoxyphenyl)ethyl]-2-[methyl({5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C885-4582
N-[2-(2-methoxyphenyl)ethyl]-2-[methyl({5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]acetamide

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

C885-4582

Molecular Formula

C20H25N5O3S (C20 H25 N5 O3 S)

Compound Name

N-[2-(2-methoxyphenyl)ethyl]-2-[methyl({5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]acetamide

IUPAC name

N-[2-(2-methoxyphenyl)ethyl]-2-[methyl({5-oxo-7-propyl-5H-[134]thiadiazolo[32-a]pyrimidin-2-yl})amino]acetamide

SMILES

CCCC(N=C1SC(N(C)CC(NCCc(cccc2)c2OC)=O)=NN11)=CC1=O

InChI

InChI=1S/C20H25N5O3S/c1-4-7-15-12-18(27)25-19(22-15)29-20(23-25)24(2)13-17(26)21-11-10-14-8-5-6-9-16(14)28-3/h5-6,8-9,12H,4,7,10-11,13H2,1-3H3,(H,21,26)

InChI Key

MSGNXXOMBUTKMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.448

Distribution Coefficient, logD

2.114

Water Solubility, LogSw

-2.76

Polar Surface Area

73.024

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with C885-4582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C885-4582?
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What is the minimum amount of C885-4582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C885-4582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C885-4582
  • 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 C885-4582 available by request