K221-3476 Screening compound: N-[(2-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

K221-3476 Screening compound: N-[(2-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
K221-3476 Screening compound: N-[(2-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-3476
N-[(2-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

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

K221-3476

Molecular Formula

C26H24ClN3O5 (C26 H24 ClN3 O5)

Compound Name

N-[(2-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-3-[2-(34-dimethoxyphenyl)ethyl]-24-dioxo-1234-tetrahydroquinazoline-7-carboxamide

SMILES

COc(ccc(CCN(C(c(ccc(C(NCc(cccc1)c1Cl)=O)c1)c1N1)=O)C1=O)c1)c1OC

InChI

InChI=1S/C26H24ClN3O5/c1-34-22-10-7-16(13-23(22)35-2)11-12-30-25(32)19-9-8-17(14-21(19)29-26(30)33)24(31)28-15-18-5-3-4-6-20(18)27/h3-10,13-14H,11-12,15H2,1-2H3,(H,28,31)(H,29,33)

InChI Key

MJTYKJIIXPDSSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.108

Distribution Coefficient, logD

4.102

Water Solubility, LogSw

-4.45

Polar Surface Area

80.133

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

-5.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

K221-3476 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K221-3476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-3476?
Check Price and Availability of K221-3476, 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 K221-3476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-3476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-3476
  • 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 K221-3476 available by request