S346-0091 Screening compound: 3,5-dimethoxy-N-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)benzamide

S346-0091 Screening compound: 3,5-dimethoxy-N-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)benzamide
S346-0091 Screening compound: 3,5-dimethoxy-N-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S346-0091
3,5-dimethoxy-N-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)benzamide

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

S346-0091

Molecular Formula

C21H22N4O3 (C21 H22 N4 O3)

Compound Name

3,5-dimethoxy-N-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}phenyl)benzamide

IUPAC name

35-dimethoxy-N-(4-{5H6H7H8H-[124]triazolo[43-a]pyridin-3-yl}phenyl)benzamide

SMILES

COc1cc(C(Nc(cc2)ccc2-c2nnc3n2CCCC3)=O)cc(OC)c1

InChI

InChI=1S/C21H22N4O3/c1-27-17-11-15(12-18(13-17)28-2)21(26)22-16-8-6-14(7-9-16)20-24-23-19-5-3-4-10-25(19)20/h6-9,11-13H,3-5,10H2,1-2H3,(H,22,26)

InChI Key

UUVXANZPOBMTHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.137

Distribution Coefficient, logD

3.136

Water Solubility, LogSw

-3.53

Polar Surface Area

63.110

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

S346-0091 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S346-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S346-0091?
Check Price and Availability of S346-0091, 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 S346-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S346-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S346-0091
  • 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 S346-0091 available by request