Y200-4997 Screening compound: N-(1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide

Y200-4997 Screening compound: N-(1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide
Y200-4997 Screening compound: N-(1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-4997
N-(1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide

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

Y200-4997

Molecular Formula

C8H11N3OS (C8 H11 N3 OS)

Compound Name

N-(1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide

IUPAC name

N-(134-thiadiazol-2-yl)cyclopentanecarboxamide

SMILES

O=C(C1CCCC1)Nc1nncs1

InChI

InChI=1S/C8H11N3OS/c12-7(6-3-1-2-4-6)10-8-11-9-5-13-8/h5-6H,1-4H2,(H,10,11,12)

InChI Key

MHADVKWGBGDNDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01359316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

197.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.473

Distribution Coefficient, logD

1.450

Water Solubility, LogSw

-2.10

Polar Surface Area

47.463

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

Y200-4997 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with Y200-4997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-4997?
Check Price and Availability of Y200-4997, 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 Y200-4997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-4997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-4997
  • 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 Y200-4997 available by request