S280-0732 Screening compound: 5-bromo-N~2~-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-furamide

S280-0732 Screening compound: 5-bromo-N~2~-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-furamide
S280-0732 Screening compound: 5-bromo-N~2~-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S280-0732
5-bromo-N~2~-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-furamide

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

S280-0732

Molecular Formula

C12H13BrN4O2 (C12 H13 BrN4 O2)

Compound Name

5-bromo-N~2~-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-furamide

IUPAC name

5-bromo-N-({5H6H7H8H-[124]triazolo[43-a]pyridin-3-yl}methyl)furan-2-carboxamide

SMILES

O=C(c(o1)ccc1Br)NCc1nnc2n1CCCC2

InChI

InChI=1S/C12H13BrN4O2/c13-9-5-4-8(19-9)12(18)14-7-11-16-15-10-3-1-2-6-17(10)11/h4-5H,1-3,6-7H2,(H,14,18)

InChI Key

WTJIRMLNDAJCBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27617830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.16

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.868

Distribution Coefficient, logD

0.868

Water Solubility, LogSw

-1.86

Polar Surface Area

59.519

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

S280-0732 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S280-0732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S280-0732?
Check Price and Availability of S280-0732, 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 S280-0732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S280-0732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S280-0732
  • 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 S280-0732 available by request