K832-3712 Screening compound: methyl 4-[2-chloro-7-(4-methylphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzoate

K832-3712 Screening compound: methyl 4-[2-chloro-7-(4-methylphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzoate
K832-3712 Screening compound: methyl 4-[2-chloro-7-(4-methylphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-3712
methyl 4-[2-chloro-7-(4-methylphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzoate

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

K832-3712

Molecular Formula

C27H21ClN4O3 (C27 H21 ClN4 O3)

Compound Name

methyl 4-[2-chloro-7-(4-methylphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzoate

IUPAC name

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

SMILES

Cc1ccc(C2n3ncnc3NC3=C2C(c(cc2)ccc2C(OC)=O)Oc(cc2)c3cc2Cl)cc1

InChI

InChI=1S/C27H21ClN4O3/c1-15-3-5-16(6-4-15)24-22-23(31-27-29-14-30-32(24)27)20-13-19(28)11-12-21(20)35-25(22)17-7-9-18(10-8-17)26(33)34-2/h3-14,24-25H,1-2H3,(H,29,30,31)

InChI Key

CWDIAJGVSMONCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05706251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.085

Distribution Coefficient, logD

6.084

Water Solubility, LogSw

-6.17

Polar Surface Area

66.781

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

14.80

K832-3712 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 K832-3712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-3712?
Check Price and Availability of K832-3712, 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 K832-3712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-3712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-3712
  • 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 K832-3712 available by request