K289-0305 Screening compound: ETHYL 2-{[7-(4-CARBAMOYLPIPERIDINE-1-CARBONYL)-4-OXO-3-PENTYL-3,4-DIHYDROQUINAZOLIN-2-YL]SULFANYL}ACETATE

K289-0305 Screening compound: ETHYL 2-{[7-(4-CARBAMOYLPIPERIDINE-1-CARBONYL)-4-OXO-3-PENTYL-3,4-DIHYDROQUINAZOLIN-2-YL]SULFANYL}ACETATE
K289-0305 Screening compound: ETHYL 2-{[7-(4-CARBAMOYLPIPERIDINE-1-CARBONYL)-4-OXO-3-PENTYL-3,4-DIHYDROQUINAZOLIN-2-YL]SULFANYL}ACETATE alternative view

Chemical Structure Depiction of ChemDiv screening compound K289-0305
ETHYL 2-{[7-(4-CARBAMOYLPIPERIDINE-1-CARBONYL)-4-OXO-3-PENTYL-3,4-DIHYDROQUINAZOLIN-2-YL]SULFANYL}ACETATE

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

K289-0305

Molecular Formula

C24H32N4O5S (C24 H32 N4 O5 S)

Compound Name

ETHYL 2-{[7-(4-CARBAMOYLPIPERIDINE-1-CARBONYL)-4-OXO-3-PENTYL-3,4-DIHYDROQUINAZOLIN-2-YL]SULFANYL}ACETATE

IUPAC name

n/a

SMILES

CCCCCN1C(SCC(OCC)=O)=Nc(cc(cc2)C(N(CC3)CCC3C(N)=O)=O)c2C1=O

InChI

InChI=1S/C24H32N4O5S/c1-3-5-6-11-28-23(32)18-8-7-17(22(31)27-12-9-16(10-13-27)21(25)30)14-19(18)26-24(28)34-15-20(29)33-4-2/h7-8,14,16H,3-6,9-13,15H2,1-2H3,(H2,25,30)

InChI Key

MBOBARGSZDRKCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.214

Distribution Coefficient, logD

2.214

Water Solubility, LogSw

-2.80

Polar Surface Area

97.158

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

K289-0305 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with K289-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K289-0305?
Check Price and Availability of K289-0305, 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 K289-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K289-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K289-0305
  • 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 K289-0305 available by request