G856-3668 Screening compound: 4-butyl-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)cyclohexane-1-carboxamide

G856-3668 Screening compound: 4-butyl-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)cyclohexane-1-carboxamide
G856-3668 Screening compound: 4-butyl-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-3668
4-butyl-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-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

G856-3668

Molecular Formula

C17H27N3O3 (C17 H27 N3 O3)

Compound Name

4-butyl-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)cyclohexane-1-carboxamide

IUPAC name

4-butyl-N-(13-dimethyl-26-dioxo-1236-tetrahydropyrimidin-4-yl)cyclohexane-1-carboxamide

SMILES

CCCCC(CC1)CCC1C(NC(N(C)C(N1C)=O)=CC1=O)=O

InChI

InChI=1S/C17H27N3O3/c1-4-5-6-12-7-9-13(10-8-12)16(22)18-14-11-15(21)20(3)17(23)19(14)2/h11-13H,4-10H2,1-3H3,(H,18,22)

InChI Key

LAGQIOXFZHMOIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04473075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.982

Distribution Coefficient, logD

2.957

Water Solubility, LogSw

-3.07

Polar Surface Area

54.526

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

-3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.60

G856-3668 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G856-3668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-3668?
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What is the minimum amount of G856-3668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-3668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-3668
  • 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 G856-3668 available by request