G346-0344 Screening compound: 4-({1-[(3-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-(propan-2-yl)cyclohexane-1-carboxamide

G346-0344 Screening compound: 4-({1-[(3-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-(propan-2-yl)cyclohexane-1-carboxamide
G346-0344 Screening compound: 4-({1-[(3-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-(propan-2-yl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G346-0344
4-({1-[(3-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-(propan-2-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

G346-0344

Molecular Formula

C25H31N3O3S (C25 H31 N3 O3 S)

Compound Name

4-({1-[(3-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-(propan-2-yl)cyclohexane-1-carboxamide

IUPAC name

4-({1-[(3-methylphenyl)methyl]-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}methyl)-N-(propan-2-yl)cyclohexane-1-carboxamide

SMILES

CC(C)NC(C1CCC(CN(C(c(scc2)c2N2Cc3cc(C)ccc3)=O)C2=O)CC1)=O

InChI

InChI=1S/C25H31N3O3S/c1-16(2)26-23(29)20-9-7-18(8-10-20)14-28-24(30)22-21(11-12-32-22)27(25(28)31)15-19-6-4-5-17(3)13-19/h4-6,11-13,16,18,20H,7-10,14-15H2,1-3H3,(H,26,29)

InChI Key

HVEJXAZCDZKHOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.366

Distribution Coefficient, logD

5.366

Water Solubility, LogSw

-5.32

Polar Surface Area

56.136

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

G346-0344 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G346-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G346-0344?
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What is the minimum amount of G346-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G346-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G346-0344
  • 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 G346-0344 available by request