K221-3110 Screening compound: 4-[(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(3,3-diethoxypropyl)benzamide

K221-3110 Screening compound: 4-[(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(3,3-diethoxypropyl)benzamide
K221-3110 Screening compound: 4-[(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(3,3-diethoxypropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-3110
4-[(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(3,3-diethoxypropyl)benzamide

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

K221-3110

Molecular Formula

C27H35N3O7 (C27 H35 N3 O7)

Compound Name

4-[(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(3,3-diethoxypropyl)benzamide

IUPAC name

4-[(67-diethoxy-24-dioxo-1234-tetrahydroquinazolin-3-yl)methyl]-N-(33-diethoxypropyl)benzamide

SMILES

CCOC(CCNC(c1ccc(CN(C(c(cc(c(OCC)c2)OCC)c2N2)=O)C2=O)cc1)=O)OCC

InChI

InChI=1S/C27H35N3O7/c1-5-34-22-15-20-21(16-23(22)35-6-2)29-27(33)30(26(20)32)17-18-9-11-19(12-10-18)25(31)28-14-13-24(36-7-3)37-8-4/h9-12,15-16,24H,5-8,13-14,17H2,1-4H3,(H,28,31)(H,29,33)

InChI Key

VWWLWMURTSBLOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.419

Distribution Coefficient, logD

2.413

Water Solubility, LogSw

-3.06

Polar Surface Area

94.081

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

K221-3110 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 K221-3110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-3110?
Check Price and Availability of K221-3110, 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 K221-3110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-3110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-3110
  • 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 K221-3110 available by request