K832-3034 Screening compound: (5S,7R)-7-(4-ethoxy-3-methoxyphenyl)-5-(2-thienyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine

K832-3034 Screening compound: (5S,7R)-7-(4-ethoxy-3-methoxyphenyl)-5-(2-thienyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
K832-3034 Screening compound: (5S,7R)-7-(4-ethoxy-3-methoxyphenyl)-5-(2-thienyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-3034
(5S,7R)-7-(4-ethoxy-3-methoxyphenyl)-5-(2-thienyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine

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

K832-3034

Molecular Formula

C18H20N4O2S (C18 H20 N4 O2 S)

Compound Name

(5S,7R)-7-(4-ethoxy-3-methoxyphenyl)-5-(2-thienyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

(5S7R)-7-(4-ethoxy-3-methoxyphenyl)-5-(thiophen-2-yl)-4H5H6H7H-[124]triazolo[15-a]pyrimidine

SMILES

CCOc(ccc([C@H](C1)n2ncnc2N[C@H]1c1cccs1)c1)c1OC

InChI

InChI=1S/C18H20N4O2S/c1-3-24-15-7-6-12(9-16(15)23-2)14-10-13(17-5-4-8-25-17)21-18-19-11-20-22(14)18/h4-9,11,13-14H,3,10H2,1-2H3,(H,19,20,21)/t13-,14-/m1/s1

InChI Key

LNYHDKXWYDWYGP-ZIAGYGMSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.958

Distribution Coefficient, logD

2.958

Water Solubility, LogSw

-3.31

Polar Surface Area

54.928

Acid Dissociation Constant (pKa)

18.22

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

K832-3034 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with K832-3034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-3034?
Check Price and Availability of K832-3034, 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 K832-3034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-3034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-3034
  • 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 K832-3034 available by request