4236-0432 Screening compound: 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-cyclohexylacetamide

4236-0432 Screening compound: 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-cyclohexylacetamide
4236-0432 Screening compound: 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4236-0432
2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-cyclohexylacetamide

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

4236-0432

Molecular Formula

C18H24N4OS2 (C18 H24 N4 OS2)

Compound Name

2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-cyclohexylacetamide

IUPAC name

2-({3-amino-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-5-yl}sulfanyl)-N-cyclohexylacetamide

SMILES

Nc1c(c(CCCC2)c2s2)c2nc(SCC(NC2CCCCC2)=O)n1

InChI

InChI=1S/C18H24N4OS2/c19-16-15-12-8-4-5-9-13(12)25-17(15)22-18(21-16)24-10-14(23)20-11-6-2-1-3-7-11/h11H,1-10H2,(H,20,23)(H2,19,21,22)

InChI Key

XOJYYSOKFPFRRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02329911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.136

Distribution Coefficient, logD

4.136

Water Solubility, LogSw

-4.36

Polar Surface Area

63.179

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

4236-0432 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4236-0432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4236-0432?
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What is the minimum amount of 4236-0432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4236-0432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4236-0432
  • 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 4236-0432 available by request