K279-0113 Screening compound: ETHYL 2-{[3-(1H-INDOL-3-YLMETHYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL]SULFANYL}HEXANOATE

K279-0113 Screening compound: ETHYL 2-{[3-(1H-INDOL-3-YLMETHYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL]SULFANYL}HEXANOATE
K279-0113 Screening compound: ETHYL 2-{[3-(1H-INDOL-3-YLMETHYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL]SULFANYL}HEXANOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound K279-0113
ETHYL 2-{[3-(1H-INDOL-3-YLMETHYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL]SULFANYL}HEXANOATE

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

K279-0113

Molecular Formula

C27H28N4O3S (C27 H28 N4 O3 S)

Compound Name

ETHYL 2-{[3-(1H-INDOL-3-YLMETHYL)-2-OXO-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL]SULFANYL}HEXANOATE

IUPAC name

n/a

SMILES

CCCCC(C(OCC)=O)SC(N1C2Cc3c[nH]c4c3cccc4)=Nc(cccc3)c3C1=NC2=O

InChI

InChI=1S/C27H28N4O3S/c1-3-5-14-23(26(33)34-4-2)35-27-29-21-13-9-7-11-19(21)24-30-25(32)22(31(24)27)15-17-16-28-20-12-8-6-10-18(17)20/h6-13,16,22-23,28H,3-5,14-15H2,1-2H3

InChI Key

VBIMJSCMVQSECD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.264

Distribution Coefficient, logD

5.261

Water Solubility, LogSw

-5.30

Polar Surface Area

66.048

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

K279-0113 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K279-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K279-0113?
Check Price and Availability of K279-0113, 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 K279-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K279-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K279-0113
  • 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 K279-0113 available by request