S280-0799 Screening compound: N-(5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YLMETHYL)-3-THIOPHENECARBOXAMIDE

S280-0799 Screening compound: N-(5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YLMETHYL)-3-THIOPHENECARBOXAMIDE
S280-0799 Screening compound: N-(5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YLMETHYL)-3-THIOPHENECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S280-0799
N-(5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YLMETHYL)-3-THIOPHENECARBOXAMIDE

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

S280-0799

Molecular Formula

C12H14N4OS (C12 H14 N4 OS)

Compound Name

N-(5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YLMETHYL)-3-THIOPHENECARBOXAMIDE

IUPAC name

N-({5H6H7H8H-[124]triazolo[43-a]pyridin-3-yl}methyl)thiophene-3-carboxamide

SMILES

O=C(c1cscc1)NCc1nnc2n1CCCC2

InChI

InChI=1S/C12H14N4OS/c17-12(9-4-6-18-8-9)13-7-11-15-14-10-3-1-2-5-16(10)11/h4,6,8H,1-3,5,7H2,(H,13,17)

InChI Key

NHQZDDIDPWWUDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27617840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.612

Distribution Coefficient, logD

0.612

Water Solubility, LogSw

-2.04

Polar Surface Area

51.611

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

S280-0799 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S280-0799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S280-0799?
Check Price and Availability of S280-0799, 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 S280-0799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S280-0799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S280-0799
  • 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 S280-0799 available by request