C885-1678 Screening compound: 2-[methyl({7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]-N-(2-phenylpropyl)acetamide

C885-1678 Screening compound: 2-[methyl({7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]-N-(2-phenylpropyl)acetamide
C885-1678 Screening compound: 2-[methyl({7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]-N-(2-phenylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C885-1678
2-[methyl({7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]-N-(2-phenylpropyl)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

C885-1678

Molecular Formula

C18H21N5O2S (C18 H21 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CNC(CN(C)C(SC1=NC(C)=C2)=NN1C2=O)=O)c1ccccc1

InChI

InChI=1S/C18H21N5O2S/c1-12(14-7-5-4-6-8-14)10-19-15(24)11-22(3)18-21-23-16(25)9-13(2)20-17(23)26-18/h4-9,12H,10-11H2,1-3H3,(H,19,24)/t12-/m0/s1

InChI Key

BRMFXRHNYZPFON-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14805349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.152

Distribution Coefficient, logD

1.774

Water Solubility, LogSw

-2.60

Polar Surface Area

64.945

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C885-1678 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C885-1678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C885-1678?
Check Price and Availability of C885-1678, 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 C885-1678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C885-1678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C885-1678
  • 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 C885-1678 available by request