K221-3025 Screening compound: 4-[(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(2-methylcyclohexyl)benzamide

K221-3025 Screening compound: 4-[(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(2-methylcyclohexyl)benzamide
K221-3025 Screening compound: 4-[(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(2-methylcyclohexyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-3025
4-[(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(2-methylcyclohexyl)benzamide

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

K221-3025

Molecular Formula

C27H33N3O5 (C27 H33 N3 O5)

Compound Name

4-[(6,7-diethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(2-methylcyclohexyl)benzamide

IUPAC name

4-[(67-diethoxy-24-dioxo-1234-tetrahydroquinazolin-3-yl)methyl]-N-(2-methylcyclohexyl)benzamide

SMILES

CCOc(c(OCC)c1)cc(C(N2Cc(cc3)ccc3C(NC3C(C)CCCC3)=O)=O)c1NC2=O

InChI

InChI=1S/C27H33N3O5/c1-4-34-23-14-20-22(15-24(23)35-5-2)29-27(33)30(26(20)32)16-18-10-12-19(13-11-18)25(31)28-21-9-7-6-8-17(21)3/h10-15,17,21H,4-9,16H2,1-3H3,(H,28,31)(H,29,33)

InChI Key

IKIYZJXGWDBLHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.58

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

4.064

Distribution Coefficient, logD

4.059

Water Solubility, LogSw

-4.16

Polar Surface Area

79.429

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with K221-3025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-3025?
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What is the minimum amount of K221-3025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-3025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-3025
  • 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 K221-3025 available by request