G346-0177 Screening compound: 4-[(1-{[(3-acetylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide

G346-0177 Screening compound: 4-[(1-{[(3-acetylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide
G346-0177 Screening compound: 4-[(1-{[(3-acetylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G346-0177
4-[(1-{[(3-acetylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-methylcyclohexane-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

G346-0177

Molecular Formula

C25H28N4O5S (C25 H28 N4 O5 S)

Compound Name

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

IUPAC name

4-[(1-{[(3-acetylphenyl)carbamoyl]methyl}-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide

SMILES

CC(c1cccc(NC(CN(c2c(C(N3CC(CC4)CCC4C(NC)=O)=O)scc2)C3=O)=O)c1)=O

InChI

InChI=1S/C25H28N4O5S/c1-15(30)18-4-3-5-19(12-18)27-21(31)14-28-20-10-11-35-22(20)24(33)29(25(28)34)13-16-6-8-17(9-7-16)23(32)26-2/h3-5,10-12,16-17H,6-9,13-14H2,1-2H3,(H,26,32)(H,27,31)

InChI Key

BIAGTNHZLZVFKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14999667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.063

Distribution Coefficient, logD

3.063

Water Solubility, LogSw

-3.29

Polar Surface Area

94.289

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G346-0177 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G346-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G346-0177?
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What is the minimum amount of G346-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G346-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G346-0177
  • 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 G346-0177 available by request