G346-0217 Screening compound: 4-({2,4-dioxo-1-[(propylcarbamoyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide

G346-0217 Screening compound: 4-({2,4-dioxo-1-[(propylcarbamoyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide
G346-0217 Screening compound: 4-({2,4-dioxo-1-[(propylcarbamoyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G346-0217
4-({2,4-dioxo-1-[(propylcarbamoyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-[(furan-2-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

G346-0217

Molecular Formula

C24H30N4O5S (C24 H30 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCCNC(CN(c1c(C(N2CC(CC3)CCC3C(NCc3ccco3)=O)=O)scc1)C2=O)=O

InChI

InChI=1S/C24H30N4O5S/c1-2-10-25-20(29)15-27-19-9-12-34-21(19)23(31)28(24(27)32)14-16-5-7-17(8-6-16)22(30)26-13-18-4-3-11-33-18/h3-4,9,11-12,16-17H,2,5-8,10,13-15H2,1H3,(H,25,29)(H,26,30)

InChI Key

JWADCGABGCNWBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14999680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.167

Distribution Coefficient, logD

3.167

Water Solubility, LogSw

-3.24

Polar Surface Area

89.224

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G346-0217 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G346-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G346-0217?
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What is the minimum amount of G346-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G346-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G346-0217
  • 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 G346-0217 available by request