K221-3316 Screening compound: N-cycloheptyl-5-(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide

K221-3316 Screening compound: N-cycloheptyl-5-(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide
K221-3316 Screening compound: N-cycloheptyl-5-(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-3316
N-cycloheptyl-5-(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide

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

K221-3316

Molecular Formula

C24H35N3O5 (C24 H35 N3 O5)

Compound Name

N-cycloheptyl-5-(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide

IUPAC name

N-cycloheptyl-5-(67-diethoxy-24-dioxo-1234-tetrahydroquinazolin-3-yl)pentanamide

SMILES

CCOc(c(OCC)c1)cc(C(N2CCCCC(NC3CCCCCC3)=O)=O)c1NC2=O

InChI

InChI=1S/C24H35N3O5/c1-3-31-20-15-18-19(16-21(20)32-4-2)26-24(30)27(23(18)29)14-10-9-13-22(28)25-17-11-7-5-6-8-12-17/h15-17H,3-14H2,1-2H3,(H,25,28)(H,26,30)

InChI Key

ALKJMNZKIRQRFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.208

Distribution Coefficient, logD

3.192

Water Solubility, LogSw

-3.44

Polar Surface Area

79.407

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

K221-3316 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with K221-3316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-3316?
Check Price and Availability of K221-3316, 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 K221-3316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-3316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-3316
  • 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 K221-3316 available by request