K279-0682 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~-(4-ETHYLPHENYL)BUTANAMIDE

K279-0682 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~-(4-ETHYLPHENYL)BUTANAMIDE
K279-0682 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~-(4-ETHYLPHENYL)BUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K279-0682
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~-(4-ETHYLPHENYL)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

K279-0682

Molecular Formula

C33H33N5O5S (C33 H33 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~-(4-ETHYLPHENYL)BUTANAMIDE

IUPAC name

n/a

SMILES

CCC(C(Nc1ccc(CC)cc1)=O)SC(N1C2CCC(NCc(cc3)cc4c3OCO4)=O)=Nc(cccc3)c3C1=NC2=O

InChI

InChI=1S/C33H33N5O5S/c1-3-20-9-12-22(13-10-20)35-32(41)28(4-2)44-33-36-24-8-6-5-7-23(24)30-37-31(40)25(38(30)33)14-16-29(39)34-18-21-11-15-26-27(17-21)43-19-42-26/h5-13,15,17,25,28H,3-4,14,16,18-19H2,1-2H3,(H,34,39)(H,35,41)

InChI Key

GLMFXORZYMMNGH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

611.72

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.896

Distribution Coefficient, logD

4.895

Water Solubility, LogSw

-4.54

Polar Surface Area

100.101

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.30

K279-0682 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K279-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-0682?
Check Price and Availability of K279-0682, 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 K279-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-0682
  • 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 K279-0682 available by request