3009-4128 Screening compound: 4-hexyl-N-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)cyclohexane-1-carboxamide

3009-4128 Screening compound: 4-hexyl-N-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)cyclohexane-1-carboxamide
3009-4128 Screening compound: 4-hexyl-N-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3009-4128
4-hexyl-N-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)cyclohexane-1-carboxamide

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

3009-4128

Molecular Formula

C22H31N3O2 (C22 H31 N3 O2)

Compound Name

4-hexyl-N-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)cyclohexane-1-carboxamide

IUPAC name

4-hexyl-N-(2-methyl-4-oxo-34-dihydroquinazolin-3-yl)cyclohexane-1-carboxamide

SMILES

CCCCCCC(CC1)CCC1C(NN(C(C)=Nc1c2cccc1)C2=O)=O

InChI

InChI=1S/C22H31N3O2/c1-3-4-5-6-9-17-12-14-18(15-13-17)21(26)24-25-16(2)23-20-11-8-7-10-19(20)22(25)27/h7-8,10-11,17-18H,3-6,9,12-15H2,1-2H3,(H,24,26)

InChI Key

APLNGMLQTZGFFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.721

Distribution Coefficient, logD

4.720

Water Solubility, LogSw

-4.66

Polar Surface Area

50.979

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

3009-4128 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3009-4128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3009-4128?
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What is the minimum amount of 3009-4128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3009-4128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3009-4128
  • 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 3009-4128 available by request