K832-3822 Screening compound: 2-bromo-4-{6-[4-(methylsulfanyl)phenyl]-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-7-yl}phenyl methyl ether

K832-3822 Screening compound: 2-bromo-4-{6-[4-(methylsulfanyl)phenyl]-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-7-yl}phenyl methyl ether
K832-3822 Screening compound: 2-bromo-4-{6-[4-(methylsulfanyl)phenyl]-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-7-yl}phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-3822
2-bromo-4-{6-[4-(methylsulfanyl)phenyl]-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-7-yl}phenyl methyl ether

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

K832-3822

Molecular Formula

C26H21BrN4O2S (C26 H21 BrN4 O2 S)

Compound Name

2-bromo-4-{6-[4-(methylsulfanyl)phenyl]-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-7-yl}phenyl methyl ether

IUPAC name

11-(3-bromo-4-methoxyphenyl)-9-[4-(methylsulfanyl)phenyl]-8-oxa-12131517-tetraazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(10)2(7)351315-hexaene

SMILES

COc(ccc(C1n2ncnc2NC2=C1C(c(cc1)ccc1SC)Oc1c2cccc1)c1)c1Br

InChI

InChI=1S/C26H21BrN4O2S/c1-32-21-12-9-16(13-19(21)27)24-22-23(30-26-28-14-29-31(24)26)18-5-3-4-6-20(18)33-25(22)15-7-10-17(34-2)11-8-15/h3-14,24-25H,1-2H3,(H,28,29,30)

InChI Key

XFIYYQNDWMQGJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05719115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.010

Distribution Coefficient, logD

6.010

Water Solubility, LogSw

-5.78

Polar Surface Area

53.238

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with K832-3822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-3822?
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What is the minimum amount of K832-3822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-3822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-3822
  • 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 K832-3822 available by request