K221-3427 Screening compound: ethyl 4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-amido}piperidine-1-carboxylate

K221-3427 Screening compound: ethyl 4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-amido}piperidine-1-carboxylate
K221-3427 Screening compound: ethyl 4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-amido}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-3427
ethyl 4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-amido}piperidine-1-carboxylate

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

K221-3427

Molecular Formula

C25H26N4O7 (C25 H26 N4 O7)

Compound Name

ethyl 4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-amido}piperidine-1-carboxylate

IUPAC name

ethyl 4-{3-[(2H-13-benzodioxol-5-yl)methyl]-24-dioxo-1234-tetrahydroquinazoline-7-amido}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c(cc1)cc(NC(N2Cc(cc3)cc4c3OCO4)=O)c1C2=O)=O)=O

InChI

InChI=1S/C25H26N4O7/c1-2-34-25(33)28-9-7-17(8-10-28)26-22(30)16-4-5-18-19(12-16)27-24(32)29(23(18)31)13-15-3-6-20-21(11-15)36-14-35-20/h3-6,11-12,17H,2,7-10,13-14H2,1H3,(H,26,30)(H,27,32)

InChI Key

CTRAUTKLWOWFSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.918

Distribution Coefficient, logD

2.918

Water Solubility, LogSw

-3.36

Polar Surface Area

104.515

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

K221-3427 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K221-3427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-3427?
Check Price and Availability of K221-3427, 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 K221-3427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-3427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-3427
  • 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 K221-3427 available by request