G346-0039 Screening compound: 3-({4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclohexyl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

G346-0039 Screening compound: 3-({4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclohexyl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
G346-0039 Screening compound: 3-({4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclohexyl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G346-0039
3-({4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclohexyl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

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

G346-0039

Molecular Formula

C23H26N4O5S (C23 H26 N4 O5 S)

Compound Name

3-({4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclohexyl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

IUPAC name

3-({4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]cyclohexyl}methyl)-1H2H3H4H-thieno[32-d]pyrimidine-24-dione

SMILES

O=C(C1CCC(CN(C(c(scc2)c2N2)=O)C2=O)CC1)N(CC1)CCN1C(c1ccco1)=O

InChI

InChI=1S/C23H26N4O5S/c28-20(25-8-10-26(11-9-25)21(29)18-2-1-12-32-18)16-5-3-15(4-6-16)14-27-22(30)19-17(7-13-33-19)24-23(27)31/h1-2,7,12-13,15-16H,3-6,8-11,14H2,(H,24,31)

InChI Key

LRRYPSPJIAEBQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08141464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.604

Distribution Coefficient, logD

2.603

Water Solubility, LogSw

-2.90

Polar Surface Area

83.374

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

G346-0039 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G346-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G346-0039?
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What is the minimum amount of G346-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G346-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G346-0039
  • 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 G346-0039 available by request