C885-4422 Screening compound: N-[(2-bromophenyl)methyl]-2-[methyl({5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]acetamide

C885-4422 Screening compound: N-[(2-bromophenyl)methyl]-2-[methyl({5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]acetamide
C885-4422 Screening compound: N-[(2-bromophenyl)methyl]-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 C885-4422
N-[(2-bromophenyl)methyl]-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

C885-4422

Molecular Formula

C18H20BrN5O2S (C18 H20 BrN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCC(N=C1SC(N(C)CC(NCc(cccc2)c2Br)=O)=NN11)=CC1=O

InChI

InChI=1S/C18H20BrN5O2S/c1-3-6-13-9-16(26)24-17(21-13)27-18(22-24)23(2)11-15(25)20-10-12-7-4-5-8-14(12)19/h4-5,7-9H,3,6,10-11H2,1-2H3,(H,20,25)

InChI Key

WIHZHNQZGCSZHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.260

Distribution Coefficient, logD

2.925

Water Solubility, LogSw

-3.41

Polar Surface Area

65.552

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C885-4422 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C885-4422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C885-4422?
Check Price and Availability of C885-4422, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C885-4422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C885-4422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C885-4422
  • 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 C885-4422 available by request