K221-3221 Screening compound: N-[(2-chlorophenyl)methyl]-5-{1-[(cyclohexylcarbamoyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide

K221-3221 Screening compound: N-[(2-chlorophenyl)methyl]-5-{1-[(cyclohexylcarbamoyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide
K221-3221 Screening compound: N-[(2-chlorophenyl)methyl]-5-{1-[(cyclohexylcarbamoyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-3221
N-[(2-chlorophenyl)methyl]-5-{1-[(cyclohexylcarbamoyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide

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

K221-3221

Molecular Formula

C28H33ClN4O4 (C28 H33 ClN4 O4)

Compound Name

N-[(2-chlorophenyl)methyl]-5-{1-[(cyclohexylcarbamoyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide

IUPAC name

N-[(2-chlorophenyl)methyl]-5-{1-[(cyclohexylcarbamoyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}pentanamide

SMILES

O=C(CCCCN(C(c(cccc1)c1N1CC(NC2CCCCC2)=O)=O)C1=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C28H33ClN4O4/c29-23-14-6-4-10-20(23)18-30-25(34)16-8-9-17-32-27(36)22-13-5-7-15-24(22)33(28(32)37)19-26(35)31-21-11-2-1-3-12-21/h4-7,10,13-15,21H,1-3,8-9,11-12,16-19H2,(H,30,34)(H,31,35)

InChI Key

JHPCVMQVSQLUIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04444838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.05

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.760

Distribution Coefficient, logD

3.760

Water Solubility, LogSw

-4.23

Polar Surface Area

79.913

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

K221-3221 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K221-3221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-3221?
Check Price and Availability of K221-3221, 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 K221-3221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-3221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-3221
  • 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 K221-3221 available by request