4072-2783 Screening compound: 3-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-naphthol

4072-2783 Screening compound: 3-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-naphthol
4072-2783 Screening compound: 3-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-naphthol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4072-2783
3-(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-naphthol

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

4072-2783

Molecular Formula

C22H18N4OS (C22 H18 N4 OS)

Compound Name

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

IUPAC name

3-{9-thia-11131416-tetraazatetracyclo[8.7.0.0^{28}.0^{1317}]heptadeca-1(10)2(8)111416-pentaen-15-yl}naphthalen-2-ol

SMILES

Oc1cc2ccccc2cc1-c1nn(cnc2c3c(CCCCC4)c4s2)c3n1

InChI

InChI=1S/C22H18N4OS/c27-17-11-14-7-5-4-6-13(14)10-16(17)20-24-21-19-15-8-2-1-3-9-18(15)28-22(19)23-12-26(21)25-20/h4-7,10-12,27H,1-3,8-9H2

InChI Key

OBFBYCKDIGGJBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02235211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.694

Distribution Coefficient, logD

5.641

Water Solubility, LogSw

-6.85

Polar Surface Area

50.184

Acid Dissociation Constant (pKa)

8.30

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

4072-2783 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4072-2783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-2783?
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What is the minimum amount of 4072-2783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2783
  • 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 4072-2783 available by request