K221-3068 Screening compound: 4-(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

K221-3068 Screening compound: 4-(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
K221-3068 Screening compound: 4-(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-3068
4-(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]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

K221-3068

Molecular Formula

C26H33N3O7 (C26 H33 N3 O7)

Compound Name

4-(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

IUPAC name

4-(67-diethoxy-24-dioxo-1234-tetrahydroquinazolin-3-yl)-N-[2-(34-dimethoxyphenyl)ethyl]butanamide

SMILES

CCOc(c(OCC)c1)cc(C(N2CCCC(NCCc(cc3)cc(OC)c3OC)=O)=O)c1NC2=O

InChI

InChI=1S/C26H33N3O7/c1-5-35-22-15-18-19(16-23(22)36-6-2)28-26(32)29(25(18)31)13-7-8-24(30)27-12-11-17-9-10-20(33-3)21(14-17)34-4/h9-10,14-16H,5-8,11-13H2,1-4H3,(H,27,30)(H,28,32)

InChI Key

YCYXLQNRLGCVPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.146

Distribution Coefficient, logD

1.130

Water Solubility, LogSw

-2.35

Polar Surface Area

94.453

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

K221-3068 in Drug Discovery

Included in Screening Libraries

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 K221-3068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-3068?
Check Price and Availability of K221-3068, 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 K221-3068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-3068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-3068
  • 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 K221-3068 available by request