2730-0650 Screening compound: 1,3-benzoxazol-2-yl [(8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl] sulfide

2730-0650 Screening compound: 1,3-benzoxazol-2-yl [(8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl] sulfide
2730-0650 Screening compound: 1,3-benzoxazol-2-yl [(8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl] sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2730-0650
1,3-benzoxazol-2-yl [(8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl] sulfide

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

2730-0650

Molecular Formula

C27H17N5O2S (C27 H17 N5 O2 S)

Compound Name

1,3-benzoxazol-2-yl [(8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl] sulfide

IUPAC name

4-[(13-benzoxazol-2-ylsulfanyl)methyl]-1112-diphenyl-10-oxa-3568-tetraazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

C(c1nn(cnc2c3c(-c4ccccc4)c(-c4ccccc4)o2)c3n1)Sc1nc(cccc2)c2o1

InChI

InChI=1S/C27H17N5O2S/c1-3-9-17(10-4-1)22-23-25-30-21(15-35-27-29-19-13-7-8-14-20(19)33-27)31-32(25)16-28-26(23)34-24(22)18-11-5-2-6-12-18/h1-14,16H,15H2

InChI Key

AGIDCQJIVDKWKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02602065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.345

Distribution Coefficient, logD

6.345

Water Solubility, LogSw

-6.46

Polar Surface Area

55.824

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

2730-0650 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2730-0650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2730-0650?
Check Price and Availability of 2730-0650, 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 2730-0650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2730-0650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2730-0650
  • 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 2730-0650 available by request