C885-4451 Screening compound: 2-[methyl({5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]-N-[3-(pyrrolidin-1-yl)propyl]acetamide

C885-4451 Screening compound: 2-[methyl({5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]-N-[3-(pyrrolidin-1-yl)propyl]acetamide
C885-4451 Screening compound: 2-[methyl({5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]-N-[3-(pyrrolidin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C885-4451
2-[methyl({5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]-N-[3-(pyrrolidin-1-yl)propyl]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

C885-4451

Molecular Formula

C18H28N6O2S (C18 H28 N6 O2 S)

Compound Name

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

IUPAC name

2-[methyl({5-oxo-7-propyl-5H-[134]thiadiazolo[32-a]pyrimidin-2-yl})amino]-N-[3-(pyrrolidin-1-yl)propyl]acetamide

SMILES

CCCC(N=C1SC(N(C)CC(NCCCN2CCCC2)=O)=NN11)=CC1=O

InChI

InChI=1S/C18H28N6O2S/c1-3-7-14-12-16(26)24-17(20-14)27-18(21-24)22(2)13-15(25)19-8-6-11-23-9-4-5-10-23/h12H,3-11,13H2,1-2H3,(H,19,25)

InChI Key

FXDUPMNZVQPMPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.53

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

1.167

Distribution Coefficient, logD

-1.924

Water Solubility, LogSw

-1.84

Polar Surface Area

69.742

Acid Dissociation Constant (pKa)

15.66

Base Dissociation Constant (pKb)

10.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

C885-4451 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C885-4451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C885-4451?
Check Price and Availability of C885-4451, 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 C885-4451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C885-4451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C885-4451
  • 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 C885-4451 available by request