4072-2781 Screening compound: 2-(2-bromophenyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

4072-2781 Screening compound: 2-(2-bromophenyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
4072-2781 Screening compound: 2-(2-bromophenyl)-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 4072-2781
2-(2-bromophenyl)-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

4072-2781

Molecular Formula

C18H15BrN4S (C18 H15 BrN4 S)

Compound Name

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

IUPAC name

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

SMILES

Brc(cccc1)c1-c1nn(cnc2c3c(CCCCC4)c4s2)c3n1

InChI

InChI=1S/C18H15BrN4S/c19-13-8-5-4-6-11(13)16-21-17-15-12-7-2-1-3-9-14(12)24-18(15)20-10-23(17)22-16/h4-6,8,10H,1-3,7,9H2

InChI Key

QGIGGRBKYURXAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02921331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.31

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

4.679

Distribution Coefficient, logD

4.677

Water Solubility, LogSw

-4.83

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

4072-2781 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4072-2781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-2781?
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What is the minimum amount of 4072-2781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2781
  • 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 4072-2781 available by request