K221-3141 Screening compound: 3-(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide

K221-3141 Screening compound: 3-(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide
K221-3141 Screening compound: 3-(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-3141
3-(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide

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

K221-3141

Molecular Formula

C23H33N3O5 (C23 H33 N3 O5)

Compound Name

3-(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(2,3-dimethylcyclohexyl)propanamide

IUPAC name

3-(67-diethoxy-24-dioxo-1234-tetrahydroquinazolin-3-yl)-N-(23-dimethylcyclohexyl)propanamide

SMILES

CCOc(c(OCC)c1)cc(C(N2CCC(NC3C(C)C(C)CCC3)=O)=O)c1NC2=O

InChI

InChI=1S/C23H33N3O5/c1-5-30-19-12-16-18(13-20(19)31-6-2)25-23(29)26(22(16)28)11-10-21(27)24-17-9-7-8-14(3)15(17)4/h12-15,17H,5-11H2,1-4H3,(H,24,27)(H,25,29)

InChI Key

GZSOLRYZYCKZRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.53

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

2.593

Distribution Coefficient, logD

2.573

Water Solubility, LogSw

-3.04

Polar Surface Area

79.466

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

60.90

K221-3141 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K221-3141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-3141?
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What is the minimum amount of K221-3141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-3141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-3141
  • 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 K221-3141 available by request