G346-0179 Screening compound: 4-[(2,4-dioxo-1-{[(3-phenylpropyl)carbamoyl]methyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide

G346-0179 Screening compound: 4-[(2,4-dioxo-1-{[(3-phenylpropyl)carbamoyl]methyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide
G346-0179 Screening compound: 4-[(2,4-dioxo-1-{[(3-phenylpropyl)carbamoyl]methyl}-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 G346-0179
4-[(2,4-dioxo-1-{[(3-phenylpropyl)carbamoyl]methyl}-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

G346-0179

Molecular Formula

C26H32N4O4S (C26 H32 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CNC(C1CCC(CN(C(c(scc2)c2N2CC(NCCCc3ccccc3)=O)=O)C2=O)CC1)=O

InChI

InChI=1S/C26H32N4O4S/c1-27-24(32)20-11-9-19(10-12-20)16-30-25(33)23-21(13-15-35-23)29(26(30)34)17-22(31)28-14-5-8-18-6-3-2-4-7-18/h2-4,6-7,13,15,19-20H,5,8-12,14,16-17H2,1H3,(H,27,32)(H,28,31)

InChI Key

ZXKOQGWEVYQYAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09249036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.651

Distribution Coefficient, logD

3.651

Water Solubility, LogSw

-3.92

Polar Surface Area

81.626

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

G346-0179 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with G346-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G346-0179?
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What is the minimum amount of G346-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G346-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G346-0179
  • 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 G346-0179 available by request