4072-2778 Screening compound: 2-phenyl-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

4072-2778 Screening compound: 2-phenyl-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
4072-2778 Screening compound: 2-phenyl-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4072-2778
2-phenyl-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[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

4072-2778

Molecular Formula

C18H16N4S (C18 H16 N4 S)

Compound Name

2-phenyl-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

15-phenyl-9-thia-11131416-tetraazatetracyclo[8.7.0.0^{28}.0^{1317}]heptadeca-1(10)2(8)111416-pentaene

SMILES

C(CC1)CCc2c1c(c1nc(-c3ccccc3)nn1cn1)c1s2

InChI

InChI=1S/C18H16N4S/c1-3-7-12(8-4-1)16-20-17-15-13-9-5-2-6-10-14(13)23-18(15)19-11-22(17)21-16/h1,3-4,7-8,11H,2,5-6,9-10H2

InChI Key

BBSXUTXCJYVFJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02992100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.489

Distribution Coefficient, logD

4.488

Water Solubility, LogSw

-4.63

Polar Surface Area

33.907

Acid Dissociation Constant (pKa)

25.67

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

4072-2778 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4072-2778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-2778?
Check Price and Availability of 4072-2778, 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 4072-2778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2778
  • 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 4072-2778 available by request