K279-0586 Screening compound: 2-({3-[3-(BUTYLAMINO)-3-OXOPROPYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)-N~1~-(4-METHYLBENZYL)BUTANAMIDE

K279-0586 Screening compound: 2-({3-[3-(BUTYLAMINO)-3-OXOPROPYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)-N~1~-(4-METHYLBENZYL)BUTANAMIDE
K279-0586 Screening compound: 2-({3-[3-(BUTYLAMINO)-3-OXOPROPYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)-N~1~-(4-METHYLBENZYL)BUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K279-0586
2-({3-[3-(BUTYLAMINO)-3-OXOPROPYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)-N~1~-(4-METHYLBENZYL)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

K279-0586

Molecular Formula

C29H35N5O3S (C29 H35 N5 O3 S)

Compound Name

2-({3-[3-(BUTYLAMINO)-3-OXOPROPYL]-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)-N~1~-(4-METHYLBENZYL)BUTANAMIDE

IUPAC name

n/a

SMILES

CCCCNC(CCC1N2C(SC(CC)C(NCc3ccc(C)cc3)=O)=Nc(cccc3)c3C2=NC1=O)=O

InChI

InChI=1S/C29H35N5O3S/c1-4-6-17-30-25(35)16-15-23-27(36)33-26-21-9-7-8-10-22(21)32-29(34(23)26)38-24(5-2)28(37)31-18-20-13-11-19(3)12-14-20/h7-14,23-24H,4-6,15-18H2,1-3H3,(H,30,35)(H,31,37)

InChI Key

RDTZUJOBZUAAHX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.647

Distribution Coefficient, logD

3.646

Water Solubility, LogSw

-3.91

Polar Surface Area

84.421

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.40

K279-0586 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K279-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-0586?
Check Price and Availability of K279-0586, 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 K279-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-0586
  • 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 K279-0586 available by request