K221-3118 Screening compound: 4-[(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[(pyridin-2-yl)methyl]benzamide

K221-3118 Screening compound: 4-[(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[(pyridin-2-yl)methyl]benzamide
K221-3118 Screening compound: 4-[(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[(pyridin-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-3118
4-[(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[(pyridin-2-yl)methyl]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

K221-3118

Molecular Formula

C26H26N4O5 (C26 H26 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOc(c(OCC)c1)cc(C(N2Cc(cc3)ccc3C(NCc3ncccc3)=O)=O)c1NC2=O

InChI

InChI=1S/C26H26N4O5/c1-3-34-22-13-20-21(14-23(22)35-4-2)29-26(33)30(25(20)32)16-17-8-10-18(11-9-17)24(31)28-15-19-7-5-6-12-27-19/h5-14H,3-4,15-16H2,1-2H3,(H,28,31)(H,29,33)

InChI Key

PKSHTHPAULKGCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.503

Distribution Coefficient, logD

2.498

Water Solubility, LogSw

-3.05

Polar Surface Area

88.857

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K221-3118 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K221-3118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-3118?
Check Price and Availability of K221-3118, 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 K221-3118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-3118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-3118
  • 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 K221-3118 available by request