K280-0479 Screening compound: N-(2,6-dimethylphenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide

K280-0479 Screening compound: N-(2,6-dimethylphenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
K280-0479 Screening compound: N-(2,6-dimethylphenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0479
N-(2,6-dimethylphenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide

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

K280-0479

Molecular Formula

C29H27N7OS (C29 H27 N7 OS)

Compound Name

N-(2,6-dimethylphenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide

IUPAC name

N-(26-dimethylphenyl)-2-({2-[2-(2-methyl-1H-13-benzodiazol-1-yl)ethyl]-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)acetamide

SMILES

Cc1nc(cccc2)c2n1CCc1nn2c(SCC(Nc3c(C)cccc3C)=O)nc(cccc3)c3c2n1

InChI

InChI=1S/C29H27N7OS/c1-18-9-8-10-19(2)27(18)33-26(37)17-38-29-31-22-12-5-4-11-21(22)28-32-25(34-36(28)29)15-16-35-20(3)30-23-13-6-7-14-24(23)35/h4-14H,15-17H2,1-3H3,(H,33,37)

InChI Key

XEFYWLKMPKBUNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.010

Distribution Coefficient, logD

4.895

Water Solubility, LogSw

-4.72

Polar Surface Area

63.497

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

K280-0479 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with K280-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0479?
Check Price and Availability of K280-0479, 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 K280-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0479
  • 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 K280-0479 available by request