K221-3329 Screening compound: ethyl 4-[3-(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanamido]piperidine-1-carboxylate

K221-3329 Screening compound: ethyl 4-[3-(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanamido]piperidine-1-carboxylate
K221-3329 Screening compound: ethyl 4-[3-(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanamido]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-3329
ethyl 4-[3-(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanamido]piperidine-1-carboxylate

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

K221-3329

Molecular Formula

C23H32N4O7 (C23 H32 N4 O7)

Compound Name

ethyl 4-[3-(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanamido]piperidine-1-carboxylate

IUPAC name

ethyl 4-[3-(67-diethoxy-24-dioxo-1234-tetrahydroquinazolin-3-yl)propanamido]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(CCN(C(c(cc(c(OCC)c1)OCC)c1N1)=O)C1=O)=O)=O

InChI

InChI=1S/C23H32N4O7/c1-4-32-18-13-16-17(14-19(18)33-5-2)25-22(30)27(21(16)29)12-9-20(28)24-15-7-10-26(11-8-15)23(31)34-6-3/h13-15H,4-12H2,1-3H3,(H,24,28)(H,25,30)

InChI Key

GAZVQTHXRBRFGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.505

Distribution Coefficient, logD

1.485

Water Solubility, LogSw

-2.40

Polar Surface Area

101.856

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

K221-3329 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 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 K221-3329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-3329?
Check Price and Availability of K221-3329, 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 K221-3329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-3329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-3329
  • 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 K221-3329 available by request