G346-0133 Screening compound: 4-({1-[(cyclohexylcarbamoyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-methylcyclohexane-1-carboxamide

G346-0133 Screening compound: 4-({1-[(cyclohexylcarbamoyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-methylcyclohexane-1-carboxamide
G346-0133 Screening compound: 4-({1-[(cyclohexylcarbamoyl)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 G346-0133
4-({1-[(cyclohexylcarbamoyl)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

G346-0133

Molecular Formula

C23H32N4O4S (C23 H32 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CNC(C1CCC(CN(C(c(scc2)c2N2CC(NC3CCCCC3)=O)=O)C2=O)CC1)=O

InChI

InChI=1S/C23H32N4O4S/c1-24-21(29)16-9-7-15(8-10-16)13-27-22(30)20-18(11-12-32-20)26(23(27)31)14-19(28)25-17-5-3-2-4-6-17/h11-12,15-17H,2-10,13-14H2,1H3,(H,24,29)(H,25,28)

InChI Key

PNMGLIOVMHOMJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.121

Distribution Coefficient, logD

3.121

Water Solubility, LogSw

-3.32

Polar Surface Area

81.509

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.20

G346-0133 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G346-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G346-0133?
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What is the minimum amount of G346-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G346-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G346-0133
  • 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 G346-0133 available by request