C885-1657 Screening compound: 2-[methyl({7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]-N-(3-methylbutyl)acetamide

C885-1657 Screening compound: 2-[methyl({7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]-N-(3-methylbutyl)acetamide
C885-1657 Screening compound: 2-[methyl({7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]-N-(3-methylbutyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C885-1657
2-[methyl({7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl})amino]-N-(3-methylbutyl)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

C885-1657

Molecular Formula

C14H21N5O2S (C14 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-(3-methylbutyl)acetamide

IUPAC name

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

SMILES

CC(C)CCNC(CN(C)C(SC1=NC(C)=C2)=NN1C2=O)=O

InChI

InChI=1S/C14H21N5O2S/c1-9(2)5-6-15-11(20)8-18(4)14-17-19-12(21)7-10(3)16-13(19)22-14/h7,9H,5-6,8H2,1-4H3,(H,15,20)

InChI Key

UIKDWGVWNGGDGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.42

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

1.175

Distribution Coefficient, logD

0.797

Water Solubility, LogSw

-1.88

Polar Surface Area

65.058

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

C885-1657 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 C885-1657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C885-1657?
Check Price and Availability of C885-1657, 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 C885-1657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C885-1657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C885-1657
  • 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 C885-1657 available by request