K279-0681 Screening compound: 2-[(3-{3-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-3-OXOPROPYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]-N~1~-CYCLOHEXYLBUTANAMIDE

K279-0681 Screening compound: 2-[(3-{3-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-3-OXOPROPYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]-N~1~-CYCLOHEXYLBUTANAMIDE
K279-0681 Screening compound: 2-[(3-{3-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-3-OXOPROPYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]-N~1~-CYCLOHEXYLBUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K279-0681
2-[(3-{3-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-3-OXOPROPYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]-N~1~-CYCLOHEXYLBUTANAMIDE

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

K279-0681

Molecular Formula

C31H35N5O5S (C31 H35 N5 O5 S)

Compound Name

2-[(3-{3-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-3-OXOPROPYL}-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL)SULFANYL]-N~1~-CYCLOHEXYLBUTANAMIDE

IUPAC name

n/a

SMILES

CCC(C(NC1CCCCC1)=O)SC(N1C2CCC(NCc(cc3)cc4c3OCO4)=O)=Nc(cccc3)c3C1=NC2=O

InChI

InChI=1S/C31H35N5O5S/c1-2-26(30(39)33-20-8-4-3-5-9-20)42-31-34-22-11-7-6-10-21(22)28-35-29(38)23(36(28)31)13-15-27(37)32-17-19-12-14-24-25(16-19)41-18-40-24/h6-7,10-12,14,16,20,23,26H,2-5,8-9,13,15,17-18H2,1H3,(H,32,37)(H,33,39)

InChI Key

HPXMDJFWBNAXBA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

589.72

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.080

Distribution Coefficient, logD

4.079

Water Solubility, LogSw

-4.25

Polar Surface Area

101.149

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.20

K279-0681 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with K279-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-0681?
Check Price and Availability of K279-0681, 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 K279-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-0681
  • 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 K279-0681 available by request