4033-0018 Screening compound: 7-(4-methoxyphenyl)-6-phenyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine

4033-0018 Screening compound: 7-(4-methoxyphenyl)-6-phenyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
4033-0018 Screening compound: 7-(4-methoxyphenyl)-6-phenyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4033-0018
7-(4-methoxyphenyl)-6-phenyl-7,12-dihydro-6H-chromeno[4,3-d][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

4033-0018

Molecular Formula

C25H20N4O2 (C25 H20 N4 O2)

Compound Name

7-(4-methoxyphenyl)-6-phenyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

11-(4-methoxyphenyl)-9-phenyl-8-oxa-12131517-tetraazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(10)2(7)351315-hexaene

SMILES

COc1ccc(C2n3ncnc3NC3=C2C(c2ccccc2)Oc2c3cccc2)cc1

InChI

InChI=1S/C25H20N4O2/c1-30-18-13-11-16(12-14-18)23-21-22(28-25-26-15-27-29(23)25)19-9-5-6-10-20(19)31-24(21)17-7-3-2-4-8-17/h2-15,23-24H,1H3,(H,26,27,28)

InChI Key

GLOLAXUGTAMTBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00713343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.858

Distribution Coefficient, logD

4.858

Water Solubility, LogSw

-4.64

Polar Surface Area

53.151

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

12.00

4033-0018 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

BRD4 Targeted Library (4534 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with 4033-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4033-0018?
Check Price and Availability of 4033-0018, 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 4033-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4033-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4033-0018
  • 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 4033-0018 available by request