G346-0251 Screening compound: 4-({1-[(2-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-propylcyclohexane-1-carboxamide

G346-0251 Screening compound: 4-({1-[(2-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-propylcyclohexane-1-carboxamide
G346-0251 Screening compound: 4-({1-[(2-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-propylcyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G346-0251
4-({1-[(2-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-propylcyclohexane-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

G346-0251

Molecular Formula

C25H31N3O3S (C25 H31 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCNC(C1CCC(CN(C(c(scc2)c2N2Cc3c(C)cccc3)=O)C2=O)CC1)=O

InChI

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

InChI Key

LFOXXJZRSLSPFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09249047

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

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.450

Distribution Coefficient, logD

5.450

Water Solubility, LogSw

-5.39

Polar Surface Area

57.004

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

G346-0251 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Kinases Annotated Library (2415 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 G346-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G346-0251?
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What is the minimum amount of G346-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G346-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G346-0251
  • 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 G346-0251 available by request