K280-0380 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide

K280-0380 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide
K280-0380 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0380
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[2-(3,5-dimethyl-1H-pyrazol-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

K280-0380

Molecular Formula

C30H35N7O3S (C30 H35 N7 O3 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-({2-[2-(35-dimethyl-1H-pyrazol-1-yl)ethyl]-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)butanamide

SMILES

CCC(C(NCCc(cc1)cc(OC)c1OC)=O)Sc1nc(cccc2)c2c2nc(CCn3nc(C)cc3C)nn12

InChI

InChI=1S/C30H35N7O3S/c1-6-26(29(38)31-15-13-21-11-12-24(39-4)25(18-21)40-5)41-30-32-23-10-8-7-9-22(23)28-33-27(35-37(28)30)14-16-36-20(3)17-19(2)34-36/h7-12,17-18,26H,6,13-16H2,1-5H3,(H,31,38)/t26-/m0/s1

InChI Key

NEXZUUWJLGGAPB-SANMLTNESA-N

MDL Number (MFCD)

MFCD15087402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

573.72

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.533

Distribution Coefficient, logD

3.392

Water Solubility, LogSw

-3.71

Polar Surface Area

84.560

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.70

K280-0380 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K280-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0380?
Check Price and Availability of K280-0380, 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 K280-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0380
  • 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 K280-0380 available by request