K280-0540 Screening compound: N-(4-ethylphenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide

K280-0540 Screening compound: N-(4-ethylphenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide
K280-0540 Screening compound: N-(4-ethylphenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0540
N-(4-ethylphenyl)-2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide

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

K280-0540

Molecular Formula

C31H31N7OS (C31 H31 N7 OS)

Compound Name

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

IUPAC name

N-(4-ethylphenyl)-2-({2-[2-(2-methyl-1H-13-benzodiazol-1-yl)ethyl]-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)butanamide

SMILES

CCC(C(Nc1ccc(CC)cc1)=O)Sc1nc(cccc2)c2c2nc(CCn3c(cccc4)c4nc3C)nn12

InChI

InChI=1S/C31H31N7OS/c1-4-21-14-16-22(17-15-21)33-30(39)27(5-2)40-31-34-24-11-7-6-10-23(24)29-35-28(36-38(29)31)18-19-37-20(3)32-25-12-8-9-13-26(25)37/h6-17,27H,4-5,18-19H2,1-3H3,(H,33,39)/t27-/m0/s1

InChI Key

NGAXMFOFVWPYBL-MHZLTWQESA-N

MDL Number (MFCD)

MFCD15087531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.7

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.706

Distribution Coefficient, logD

6.590

Water Solubility, LogSw

-5.90

Polar Surface Area

65.106

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.80

K280-0540 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 K280-0540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0540?
Check Price and Availability of K280-0540, 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 K280-0540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0540
  • 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 K280-0540 available by request