G346-0126 Screening compound: N-benzyl-4-({1-benzyl-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)cyclohexane-1-carboxamide

G346-0126 Screening compound: N-benzyl-4-({1-benzyl-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)cyclohexane-1-carboxamide
G346-0126 Screening compound: N-benzyl-4-({1-benzyl-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G346-0126
N-benzyl-4-({1-benzyl-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)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

G346-0126

Molecular Formula

C28H29N3O3S (C28 H29 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CCC(CN(C(c(scc2)c2N2Cc3ccccc3)=O)C2=O)CC1)NCc1ccccc1

InChI

InChI=1S/C28H29N3O3S/c32-26(29-17-20-7-3-1-4-8-20)23-13-11-22(12-14-23)19-31-27(33)25-24(15-16-35-25)30(28(31)34)18-21-9-5-2-6-10-21/h1-10,15-16,22-23H,11-14,17-19H2,(H,29,32)

InChI Key

HVOINCPEWUHHCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.62

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

5.366

Distribution Coefficient, logD

5.366

Water Solubility, LogSw

-5.65

Polar Surface Area

56.891

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

G346-0126 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 G346-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G346-0126?
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What is the minimum amount of G346-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G346-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G346-0126
  • 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 G346-0126 available by request