Y200-5779 Screening compound: 1-acetyl-N~4~-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-piperidinecarboxamide

Y200-5779 Screening compound: 1-acetyl-N~4~-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-piperidinecarboxamide
Y200-5779 Screening compound: 1-acetyl-N~4~-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-5779
1-acetyl-N~4~-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-piperidinecarboxamide

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

Y200-5779

Molecular Formula

C13H18N4O2S (C13 H18 N4 O2 S)

Compound Name

1-acetyl-N~4~-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-piperidinecarboxamide

IUPAC name

1-acetyl-N-(5-cyclopropyl-134-thiadiazol-2-yl)piperidine-4-carboxamide

SMILES

CC(N(CC1)CCC1C(Nc1nnc(C2CC2)s1)=O)=O

InChI

InChI=1S/C13H18N4O2S/c1-8(18)17-6-4-9(5-7-17)11(19)14-13-16-15-12(20-13)10-2-3-10/h9-10H,2-7H2,1H3,(H,14,16,19)

InChI Key

JBRJHLBLLKZNEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.221

Distribution Coefficient, logD

1.021

Water Solubility, LogSw

-2.21

Polar Surface Area

64.514

Acid Dissociation Constant (pKa)

7.63

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.23

Y200-5779 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y200-5779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-5779?
Check Price and Availability of Y200-5779, 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 Y200-5779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-5779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-5779
  • 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 Y200-5779 available by request