5137-3660 Screening compound: 2-[(4-methoxyphenoxy)methyl]-8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

5137-3660 Screening compound: 2-[(4-methoxyphenoxy)methyl]-8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
5137-3660 Screening compound: 2-[(4-methoxyphenoxy)methyl]-8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5137-3660
2-[(4-methoxyphenoxy)methyl]-8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]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

5137-3660

Molecular Formula

C27H20N4O3 (C27 H20 N4 O3)

Compound Name

2-[(4-methoxyphenoxy)methyl]-8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

4-[(4-methoxyphenoxy)methyl]-1112-diphenyl-10-oxa-3568-tetraazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

COc(cc1)ccc1OCc1nn(cnc2c3c(-c4ccccc4)c(-c4ccccc4)o2)c3n1

InChI

InChI=1S/C27H20N4O3/c1-32-20-12-14-21(15-13-20)33-16-22-29-26-24-23(18-8-4-2-5-9-18)25(19-10-6-3-7-11-19)34-27(24)28-17-31(26)30-22/h2-15,17H,16H2,1H3

InChI Key

BNGHWHDICIRVOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03666353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.509

Distribution Coefficient, logD

5.508

Water Solubility, LogSw

-6.08

Polar Surface Area

54.204

Acid Dissociation Constant (pKa)

31.51

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

5137-3660 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Kinases Annotated Library (2415 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

References: we are preparing a list of scientific research reports with 5137-3660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5137-3660?
Check Price and Availability of 5137-3660, 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 5137-3660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5137-3660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5137-3660
  • 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 5137-3660 available by request