K221-3220 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-[2,4-dioxo-1-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-1,2,3,4-tetrahydroquinazolin-3-yl]butanamide

K221-3220 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-[2,4-dioxo-1-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-1,2,3,4-tetrahydroquinazolin-3-yl]butanamide
K221-3220 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-[2,4-dioxo-1-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-1,2,3,4-tetrahydroquinazolin-3-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-3220
N-[2-(4-chlorophenyl)ethyl]-4-[2,4-dioxo-1-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-1,2,3,4-tetrahydroquinazolin-3-yl]butanamide

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

K221-3220

Molecular Formula

C27H31ClN4O5 (C27 H31 ClN4 O5)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-4-[2,4-dioxo-1-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-1,2,3,4-tetrahydroquinazolin-3-yl]butanamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-4-[24-dioxo-1-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-1234-tetrahydroquinazolin-3-yl]butanamide

SMILES

O=C(CCCN(C(c(cccc1)c1N1CC(NCC2OCCC2)=O)=O)C1=O)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C27H31ClN4O5/c28-20-11-9-19(10-12-20)13-14-29-24(33)8-3-15-31-26(35)22-6-1-2-7-23(22)32(27(31)36)18-25(34)30-17-21-5-4-16-37-21/h1-2,6-7,9-12,21H,3-5,8,13-18H2,(H,29,33)(H,30,34)/t21-/m1/s1

InChI Key

VBWYQXYSUVMNMJ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD15082232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.02

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.067

Distribution Coefficient, logD

1.067

Water Solubility, LogSw

-2.98

Polar Surface Area

88.684

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

K221-3220 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K221-3220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-3220?
Check Price and Availability of K221-3220, 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 K221-3220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-3220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-3220
  • 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 K221-3220 available by request