6855-0474 Screening compound: 3-(pyridin-3-yl)-1-(thiophene-2-carbonyl)-1H-1,2,4-triazol-5-amine

6855-0474 Screening compound: 3-(pyridin-3-yl)-1-(thiophene-2-carbonyl)-1H-1,2,4-triazol-5-amine
6855-0474 Screening compound: 3-(pyridin-3-yl)-1-(thiophene-2-carbonyl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6855-0474
3-(pyridin-3-yl)-1-(thiophene-2-carbonyl)-1H-1,2,4-triazol-5-amine

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

6855-0474

Molecular Formula

C12H9N5OS (C12 H9 N5 OS)

Compound Name

3-(pyridin-3-yl)-1-(thiophene-2-carbonyl)-1H-1,2,4-triazol-5-amine

IUPAC name

3-(pyridin-3-yl)-1-(thiophene-2-carbonyl)-1H-124-triazol-5-amine

SMILES

Nc1nc(-c2cnccc2)nn1C(c1cccs1)=O

InChI

InChI=1S/C12H9N5OS/c13-12-15-10(8-3-1-5-14-7-8)16-17(12)11(18)9-4-2-6-19-9/h1-7H,(H2,13,15,16)

InChI Key

YQTCLHNYNCBCGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04366272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.015

Distribution Coefficient, logD

0.866

Water Solubility, LogSw

-1.40

Polar Surface Area

68.383

Acid Dissociation Constant (pKa)

19.36

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

6855-0474 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 6855-0474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6855-0474?
Check Price and Availability of 6855-0474, 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 6855-0474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6855-0474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6855-0474
  • 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 6855-0474 available by request