K221-3105 Screening compound: 4-[(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[2-(diethylamino)ethyl]benzamide

K221-3105 Screening compound: 4-[(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[2-(diethylamino)ethyl]benzamide
K221-3105 Screening compound: 4-[(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[2-(diethylamino)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-3105
4-[(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[2-(diethylamino)ethyl]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

K221-3105

Molecular Formula

C26H34N4O5 (C26 H34 N4 O5)

Compound Name

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

IUPAC name

4-[(67-diethoxy-24-dioxo-1234-tetrahydroquinazolin-3-yl)methyl]-N-[2-(diethylamino)ethyl]benzamide

SMILES

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

InChI

InChI=1S/C26H34N4O5/c1-5-29(6-2)14-13-27-24(31)19-11-9-18(10-12-19)17-30-25(32)20-15-22(34-7-3)23(35-8-4)16-21(20)28-26(30)33/h9-12,15-16H,5-8,13-14,17H2,1-4H3,(H,27,31)(H,28,33)

InChI Key

RFQMQRDOEPKEJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.629

Distribution Coefficient, logD

1.515

Water Solubility, LogSw

-3.10

Polar Surface Area

82.838

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

K221-3105 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K221-3105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-3105?
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What is the minimum amount of K221-3105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-3105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-3105
  • 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 K221-3105 available by request