C663-0652 Screening compound: 2-{[4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

C663-0652 Screening compound: 2-{[4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
C663-0652 Screening compound: 2-{[4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C663-0652
2-{[4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

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

C663-0652

Molecular Formula

C9H9N5O2S (C9 H9 N5 O2 S)

Compound Name

2-{[4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

IUPAC name

2-{[4-amino-5-(pyridin-4-yl)-4H-124-triazol-3-yl]sulfanyl}acetic acid

SMILES

Nn1c(SCC(O)=O)nnc1-c1ccncc1

InChI

InChI=1S/C9H9N5O2S/c10-14-8(6-1-3-11-4-2-6)12-13-9(14)17-5-7(15)16/h1-4H,5,10H2,(H,15,16)

InChI Key

AEGVKCSDLKQOAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04426460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.605

Distribution Coefficient, logD

-3.898

Water Solubility, LogSw

-1.07

Polar Surface Area

80.223

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C663-0652 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with C663-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C663-0652?
Check Price and Availability of C663-0652, 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 C663-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C663-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C663-0652
  • 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 C663-0652 available by request