K221-3204 Screening compound: N,N-dibenzyl-4-[(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide

K221-3204 Screening compound: N,N-dibenzyl-4-[(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide
K221-3204 Screening compound: N,N-dibenzyl-4-[(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-3204
N,N-dibenzyl-4-[(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-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

K221-3204

Molecular Formula

C30H25N3O3 (C30 H25 N3 O3)

Compound Name

N,N-dibenzyl-4-[(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide

IUPAC name

NN-dibenzyl-4-[(24-dioxo-1234-tetrahydroquinazolin-3-yl)methyl]benzamide

SMILES

O=C(c1ccc(CN(C(c(cccc2)c2N2)=O)C2=O)cc1)N(Cc1ccccc1)Cc1ccccc1

InChI

InChI=1S/C30H25N3O3/c34-28(32(19-22-9-3-1-4-10-22)20-23-11-5-2-6-12-23)25-17-15-24(16-18-25)21-33-29(35)26-13-7-8-14-27(26)31-30(33)36/h1-18H,19-21H2,(H,31,36)

InChI Key

BDVRDMZZIKMYTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.930

Distribution Coefficient, logD

4.930

Water Solubility, LogSw

-4.82

Polar Surface Area

56.420

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

K221-3204 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Lipid Metabolism Library (9174 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K221-3204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-3204?
Check Price and Availability of K221-3204, 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 K221-3204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-3204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-3204
  • 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 K221-3204 available by request