K221-2517 Screening compound: methyl 3-[6-(benzylamino)-6-oxohexyl]-2,4-dioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxylate

K221-2517 Screening compound: methyl 3-[6-(benzylamino)-6-oxohexyl]-2,4-dioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxylate
K221-2517 Screening compound: methyl 3-[6-(benzylamino)-6-oxohexyl]-2,4-dioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-2517
methyl 3-[6-(benzylamino)-6-oxohexyl]-2,4-dioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxylate

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

K221-2517

Molecular Formula

C23H25N3O5 (C23 H25 N3 O5)

Compound Name

methyl 3-[6-(benzylamino)-6-oxohexyl]-2,4-dioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxylate

IUPAC name

n/a

SMILES

COC(c(cc1)cc(NC(N2CCCCCC(NCc3ccccc3)=O)=O)c1C2=O)=O

InChI

InChI=1S/C23H25N3O5/c1-31-22(29)17-11-12-18-19(14-17)25-23(30)26(21(18)28)13-7-3-6-10-20(27)24-15-16-8-4-2-5-9-16/h2,4-5,8-9,11-12,14H,3,6-7,10,13,15H2,1H3,(H,24,27)(H,25,30)

InChI Key

DKPHTOFIEPUZPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.083

Distribution Coefficient, logD

3.080

Water Solubility, LogSw

-3.48

Polar Surface Area

86.104

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

K221-2517 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K221-2517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-2517?
Check Price and Availability of K221-2517, 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 K221-2517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-2517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-2517
  • 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 K221-2517 available by request