K221-3318 Screening compound: 6,7-diethoxy-3-{5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxopentyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

K221-3318 Screening compound: 6,7-diethoxy-3-{5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxopentyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione
K221-3318 Screening compound: 6,7-diethoxy-3-{5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxopentyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-3318
6,7-diethoxy-3-{5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxopentyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

K221-3318

Molecular Formula

C28H36N4O6 (C28 H36 N4 O6)

Compound Name

6,7-diethoxy-3-{5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxopentyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

67-diethoxy-3-{5-[4-(4-methoxyphenyl)piperazin-1-yl]-5-oxopentyl}-1234-tetrahydroquinazoline-24-dione

SMILES

CCOc(c(OCC)c1)cc(C(N2CCCCC(N(CC3)CCN3c(cc3)ccc3OC)=O)=O)c1NC2=O

InChI

InChI=1S/C28H36N4O6/c1-4-37-24-18-22-23(19-25(24)38-5-2)29-28(35)32(27(22)34)13-7-6-8-26(33)31-16-14-30(15-17-31)20-9-11-21(36-3)12-10-20/h9-12,18-19H,4-8,13-17H2,1-3H3,(H,29,35)

InChI Key

DAYHIFIBMYGIRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.813

Distribution Coefficient, logD

2.796

Water Solubility, LogSw

-3.37

Polar Surface Area

82.076

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

K221-3318 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K221-3318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-3318?
Check Price and Availability of K221-3318, 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 K221-3318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-3318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-3318
  • 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 K221-3318 available by request