K832-3886 Screening compound: 2-chloro-7-(2-fluorophenyl)-6-(2-thienyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine

K832-3886 Screening compound: 2-chloro-7-(2-fluorophenyl)-6-(2-thienyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
K832-3886 Screening compound: 2-chloro-7-(2-fluorophenyl)-6-(2-thienyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-3886
2-chloro-7-(2-fluorophenyl)-6-(2-thienyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]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

K832-3886

Molecular Formula

C22H14ClFN4OS (C22 H14 ClFN4 OS)

Compound Name

2-chloro-7-(2-fluorophenyl)-6-(2-thienyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

4-chloro-11-(2-fluorophenyl)-9-(thiophen-2-yl)-8-oxa-12131517-tetraazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(10)2(7)351315-hexaene

SMILES

Fc1c(C2n3ncnc3NC3=C2C(c2cccs2)Oc(cc2)c3cc2Cl)cccc1

InChI

InChI=1S/C22H14ClFN4OS/c23-12-7-8-16-14(10-12)19-18(21(29-16)17-6-3-9-30-17)20(13-4-1-2-5-15(13)24)28-22(27-19)25-11-26-28/h1-11,20-21H,(H,25,26,27)

InChI Key

FRNCNCJPTPYWKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05028381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.342

Distribution Coefficient, logD

5.341

Water Solubility, LogSw

-6.10

Polar Surface Area

46.626

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

9.10

K832-3886 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K832-3886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-3886?
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What is the minimum amount of K832-3886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-3886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-3886
  • 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 K832-3886 available by request