G346-0486 Screening compound: 2-(3-{[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl)-N-propylacetamide

G346-0486 Screening compound: 2-(3-{[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl)-N-propylacetamide
G346-0486 Screening compound: 2-(3-{[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl)-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G346-0486
2-(3-{[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl)-N-propylacetamide

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

G346-0486

Molecular Formula

C25H36N4O4S (C25 H36 N4 O4 S)

Compound Name

2-(3-{[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl)-N-propylacetamide

IUPAC name

2-(3-{[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]methyl}-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-1-yl)-N-propylacetamide

SMILES

CCCNC(CN(c1c(C(N2CC(CC3)CCC3C(N3CCC(C)CC3)=O)=O)scc1)C2=O)=O

InChI

InChI=1S/C25H36N4O4S/c1-3-11-26-21(30)16-28-20-10-14-34-22(20)24(32)29(25(28)33)15-18-4-6-19(7-5-18)23(31)27-12-8-17(2)9-13-27/h10,14,17-19H,3-9,11-13,15-16H2,1-2H3,(H,26,30)

InChI Key

RCVWCOZJWMGYQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09249070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.660

Distribution Coefficient, logD

3.660

Water Solubility, LogSw

-3.71

Polar Surface Area

73.710

Acid Dissociation Constant (pKa)

15.82

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.00

G346-0486 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 G346-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G346-0486?
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What is the minimum amount of G346-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G346-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G346-0486
  • 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 G346-0486 available by request